Molecule ID: 92042761

IUPAC Name: 3-(2-aminoethylsulfanyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Description: The molecule is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carring additional (2-aminoethyl)sulfanyl and methyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is an organic heterobicyclic compound, a beta-lactam, a monocarboxylic acid, an aliphatic sulfide and a primary amino compound.

SMILES: CC1C(=O)N2C1CC(SCCN)C2C(=O)O

SELFIES: [C][C][C][=Branch1][C][=O][N][C][Ring1][Branch1][C][C][Branch1][Branch1][S][C][C][N][C][Ring1][=Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H16N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h5-8H,2-4,11H2,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -2.7