Molecule ID: 173685

IUPAC Name: (5S)-5-aminocyclohexa-1,3-diene-1-carboxylic acid

Description: The molecule is the (S)-enantiomer of gabaculine. It has a role as a bacterial metabolite and an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor. It is an enantiomer of a (R)-gabaculine.

SMILES: N[C@@H]1C=CC=C(C(=O)O)C1

SELFIES: [N][C@@H1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2]

InChI: InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -2.2