Molecule ID: 49852390

IUPAC Name: (1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid

Description: The molecule is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which stereocentre attached to the carboxylic acid group has S-configuration, while that attached to the amino group has R-configuration. It is an enantiomer of a (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid. It is a tautomer of a (1S,6R)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate.

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

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

InChI: InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -2.5