(R)-7-Oxo-8-aminononanoic acid

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for (R)-7-Oxo-8-aminononanoic acid are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the (R)-7-Oxo-8-aminononanoic acid?

The molecule (R)-7-Oxo-8-aminononanoic acid presents a molecular formula of C9H17NO3 and its IUPAC name is (8R)-8-amino-7-oxononanoic acid.

R-7-oxo-8-aminononanoic acid is a molecule with the formula C9H17NO3. It is a white solid that is insoluble in water. It is a chiral molecule, and the (R)-enantiomer is the most abundant in nature. This molecule belongs in a variety of natural products, including the amino acid L-tryptophan..

This molecule has a variety of potential uses. It has been shown to inhibit the growth of cancer cells, and it is being investigated as a treatment for Alzheimer's disease. It has also been shown to have anti-inflammatory and antioxidant properties..

3D structure

Cartesian coordinates

Geometry of (R)-7-Oxo-8-aminononanoic acid in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

(R)-7-Oxo-8-aminononanoic acid GUAHPAJOXVYFON-SSDOTTSWSA-N chemical compound 2D structure molecule svg
(R)-7-Oxo-8-aminononanoic acid

 

Molecule descriptors

 
IUPAC name(8R)-8-amino-7-oxononanoic acid
InChI codeInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m1/s1
InChI KeyGUAHPAJOXVYFON-SSDOTTSWSA-N
SMILESC[C@@H](N)C(=O)CCCCCC(=O)O

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.

  • (8R)-8-Amino-7-oxononanoic acid
  • (8R)-8-amino-7-oxo-nonanoic acid
  • (R)-7-Oxo-8-aminononanoic acid
  • (R)-8-Amino-7-oxononanoic acid
  • (R)-KAPA
  • 682799-69-5
  • 7-Keto-8-aminopelargonic acid
  • D0SI1JMK5I
  • Nonanoic acid, 8-amino-7-oxo-, (8R)-

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC1532844
  • UNII-D0SI1JMK5I
  • SCHEMBL21067349

Physico-Chemical properties

IUPAC name(8R)-8-amino-7-oxononanoic acid
Molecular formulaC9H17NO3
Molecular weight187.236
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity50.06
LogP1.6
Topological polar surface area80.4

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.