Molecule ID: 3532

IUPAC Name: 1,2,3,6-tetrahydropyridine-5-carboxylic acid

Description: The molecule is a alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. It has a role as a plant metabolite and a GABA reuptake inhibitor. It is a beta-amino acid, a tetrahydropyridine, an alpha,beta-unsaturated monocarboxylic acid, a pyridine alkaloid and a secondary amino compound.

SMILES: O=C(O)C1=CCCNC1

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

InChI: InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: -2.5