A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Alanine are summarized together with 3D and 2D structures and relevant physico-chemical properties.
Table of Contents
What is the Alanine?
The molecule Alanine presents a molecular formula of C3H7NO2 and its IUPAC name is (2S)-2-aminopropanoic acid.
Alanine is an amino acid that belongs naturally in the body and in a variety of foods. It is classified as a nonessential amino acid, which means that the body can produce it on its own and does not require it to be obtained from the diet. However, alanine is still an important nutrient for the body and plays a number of important roles in metabolism and health..
Alanine is involved in a number of metabolic pathways in the body, including the production of glucose and the breakdown of proteins. It can be converted into glucose in the liver, which can be used as a source of energy for the body. Alanine is also involved in the transport of nitrogen between tissues, and it plays a role in the synthesis of other amino acids, such as glutamate and pyruvate..
Alanine belongs in a variety of foods, including meats, dairy products, and grains. It is also available as a dietary supplement, and it is commonly used to increase muscle mass and strength in athletes and bodybuilders. Alanine supplements are thought to enhance the production of growth hormone in the body, which can help to increase muscle mass and strength..
Alanine is generally considered safe and has a low risk of side effects. However, high doses of alanine supplements may cause gastrointestinal distress and should be used with caution. It is also important to consult with a healthcare provider before starting any new supplement, as alanine may interact with certain medications and may not be appropriate for everyone..
From all the above, this molecule is an amino acid that is involved in a number of important metabolic processes in the body. It belongs in a variety of foods and is also available as a dietary supplement. While generally considered safe, alanine supplements should be used with caution and under the guidance of a healthcare provider..
Geometry of Alanine in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.
|IUPAC name||(2S)-2-aminopropanoic acid|
Other names (synonyms)
IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.
One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.
Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.
In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.
- (2S)-2-Aminopropanoic acid
- (2S)-2-azanylpropanoic acid
- (S)-2-Aminopropanoic acid
- (S)-2-Aminopropionic acid
- (S)-2-amino-Propanoic acid
- (S)-2-aminopropanoic acid;H-Ala-OH
- .alpha.-Aminopropionic acid
- 2-Aminopropanoic acid, L-
- 2-Aminopropionic acid
- 2-Ammoniopropanoic acid
- ALANINE, L-
- Alanine (L-Alanine)
- Alanine, L- (7CI,8CI)
- EC 200-273-8
- HSDB 1801
- L-.alpha.-Aminopropionic acid
- L-2-Aminopropanoic acid
- L-2-Aminopropionic acid
- L-Alanine (9CI)
- L-Alanine (JP17)
- L-Alanine Powder
- L-Alanine homopolymer
- L-Alanine, N-coco alkyl derivs.
- L-Alanine, homopolymer
- L-Alanine, labeled with carbon-14
- L-Alanine, labeled with tritium
- L-S-Aminopropionic acid
- L-a-Aminopropionic acid
- L-alpha-Aminopropionic acid
- NSC 206315
- Propanoic acid, 2-amino-
- Propanoic acid, 2-amino-, (S)
- Propanoic acid, 2-amino-, (S)-
- Racemic alanine
- a-Aminopropionic acid
- alpha-Aminopropanoic acid
- alpha-Aminopropionic acid
Reference codes for other databasesThere exist several different chemical codes commonly used in orded to identify molecules:
- CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
- Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
- ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
- PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
- RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
- ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
- CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.
- EINECS 200-273-8
|IUPAC name||(2S)-2-aminopropanoic acid|
|Melting point (ºC)|
|Boiling point (ºC)|
|Topological polar surface area||63.3|
LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.
The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.
TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.
In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.
For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.