Molecule ID: 49852381

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

Description: The molecule is a 2,3-dihydro-3-hydroxyanthranilic acid in which the stereocentre attached to the amino group has S-configuration, whilst that attached to the hydroxy group has R-configuration. It is an enantiomer of a (2R,3S)-2,3-dihydro-3-hydroxyanthranilic acid. It is a tautomer of a (2S,3R)-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+/m1/s1

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