Molecule ID: 448825

IUPAC Name: (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid

Description: The molecule is a 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have S-configuration. It is an enantiomer of a (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid. It is a tautomer of a (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion.

SMILES: N[C@H]1C(C(=O)O)=CC=C[C@@H]1O

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

InChI: InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: -2.8