Molecule ID: 632

IUPAC Name: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid

Description: The molecule is an amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions. It has a role as an Escherichia coli metabolite. It is an amino dicarboxylic acid and a tetrahydropyridine. It derives from a dipicolinic acid. It is a conjugate acid of a 2,3,4,5-tetrahydrodipicolinate(2-).

SMILES: O=C(O)C1=NC(C(=O)O)CCC1

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

InChI: InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: -0.2