6-[(1-Aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Basic information
- CAS
3485-08-3- Standard SMILES
CC1(C)SC2C(NC(=O)C3(N)CCCC3)C(=O)N2C1C(=O)O- InChIKey
JBSBDUODFNGBJT-UHFFFAOYSA-N- Molecular formula
- C14H21N3O4S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.12527733
Names & identifiers
- Preferred name
- 6-[(1-Aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- 6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- CAS
3485-08-3- PubChem CID
- 494047
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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