Molecule ID: 15517793

IUPAC Name: (2R,3Z,5R)-7-oxo-3-(2-oxoethylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Description: The molecule is an organic heterobicyclic compound that is clavulanic acid in which the allylic alcohol group has been oxidised to the corresponding aldehyde. It has a role as a bacterial metabolite. It is an enal, an organic heterobicyclic compound, a beta-lactam and an oxo monocarboxylic acid. It is a conjugate acid of a clavaldehyde(1-).

SMILES: O=C/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O

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

InChI: InChI=1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 83.9 Ų
- LogP: -1.1