Molecule ID: 441133

IUPAC Name: (5R)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Description: The molecule is a carbapenemcarboxylic acid that is the 3-carboxy derivative of 2,3-didehydro-1-carbapenam. It is a carbapenemcarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (5R)-carbapenem-3-carboxylate.

SMILES: O=C(O)C1=CC[C@@H]2CC(=O)N12

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

InChI: InChI=1S/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)/t4-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: -0.3