Molecule ID: 3445

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

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is cyclohexa-1,3-diene-1-carboxylic acid carrying an amino group at position 5. It is a gamma-amino acid and an alpha,beta-unsaturated monocarboxylic acid.

SMILES: NC1C=CC=C(C(=O)O)C1

SELFIES: [N][C][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)

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