Molecule ID: 49852386

IUPAC Name: 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid

Description: The molecule is a cyclic ketone consisting of cyclohex-3-en-1-one substituted at position 5 by a carboxy group and position 6 by an amino group. It is a beta-amino acid and a cyclic ketone. It is a tautomer of a 6-ammonio-5-oxocyclohex-2-ene-1-carboxylate.

SMILES: NC1C(=O)CC=CC1C(=O)O

SELFIES: [N][C][C][=Branch1][C][=O][C][C][=C][C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -2.5