1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (3S)-
Basic information
- CAS
80904-76-3- Standard SMILES
O=C(Cc1ccccc1)N[C@H]1CN(S(=O)(=O)O)C1=O- InChIKey
LXNONFKMWIQEJK-VIFPVBQESA-N- Molecular formula
- C11H12N2O5S
- Average molar mass
- 284.29 g/mol
- Monoisotopic mass
- 284.04669266
Names & identifiers
- Preferred name
- 1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (3S)-
- IUPAC
- (3S)-2-oxo-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid
Names & synonyms
80904-76-31-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (3S)-(3S)-2-OXO-3-(2-PHENYLACETAMIDO)AZETIDINE-1-SULFONIC ACIDTKC3N7XF97CHEMBL1161807SCHEMBL10676163DTXSID902763382-Oxo-3-(2-phenylacetamido)azetidine-1-sulfonic acid, (3S)-1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (S)-
Database identifiers
- CAS
80904-76-3- PubChem CID
- 133501
- DTXSID
DTXSID90276338- ChEMBL
CHEMBL1161807- UNII
- TKC3N7XF97
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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