Molecule ID: 445025

IUPAC Name: (7R,8S)-7,8-diaminononanoic acid

Description: The molecule is the isomer of 7,8-diaminononanoic acid having (R)- and (S)- configurations at C-7 and C-8, respectively; an intermediate in the biosynthetic pathway of biotin. As biotin is made exclusively in plants and microorganisms, both the chemical structure and biosynthetic enzymes of DAPA are targets for the development of herbicides and antimicrobial drugs. It is a conjugate acid of a (7R,8S)-7,8-diammoniononanoate.

SMILES: C[C@H](N)[C@H](N)CCCCCC(=O)O

SELFIES: [C][C@H1][Branch1][C][N][C@H1][Branch1][C][N][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1

Molecular Properties:
- Polar Surface Area: 89.3 Ų
- LogP: -2.3