Molecule ID: 53323638

IUPAC Name: (2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid

Description: The molecule is the dicarboxylic acid that is 2,3,4,5-tetrahydrodipicolinic acid hydroxylated at C-4 and with configuration 2S,4S. It derives from a dipicolinic acid. It is a conjugate acid of a (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate(2-).

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

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

InChI: InChI=1S/C7H9NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: -1.2