Basic information
- CAS
112419-10-0- Standard SMILES
O=C(O)[C@@H]1CC[C@@H]2CC(=O)N21- InChIKey
RJPDELAUUYAFTQ-UHNVWZDZSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Names & identifiers
- Preferred name
- (2S,5R)-7-Oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- 1-Azabicyclo[3.2.0]heptane-2-carboxylicacid,7-oxo-,(2S,5R)-(9CI)
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
112419-10-0(2S,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R)-7-Oxo-1-azabicyclo(3.2.0)heptane-2-carboxylic acidRefChem:2071741-Azabicyclo[3.2.0]heptane-2-carboxylicacid,7-oxo-,(2S,5R)-(9CI)SCHEMBL14773330DTXSID401194816(3s,5r)-carba-penam-3-carboxylic acidDB-2228331-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 7-oxo-, (2S,5R)-
Database identifiers
- CAS
112419-10-0- PubChem CID
- 13891703
- DTXSID
DTXSID401194816- Nikkaji
- J1.466.423H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 226
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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