Molecule ID: 652

IUPAC Name: 7,8-diaminononanoic acid

Description: The molecule is an amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development. It is an amino monocarboxylic acid and an amino fatty acid. It derives from a nonanoic acid. It is a conjugate base of a 7,8-diaminononanoate cation. It is a conjugate acid of a 7,8-diaminononanoate.

SMILES: CC(N)C(N)CCCCCC(=O)O

SELFIES: [C][C][Branch1][C][N][C][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)

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