Basic information
- CAS
61964-98-5- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2NC(=O)[C@H]2N)cc1- InChIKey
RKOIHWXJNQSBLD-ZJUUUORDSA-N- Molecular formula
- C11H14N2O4S
- Average molar mass
- 270.31 g/mol
- Monoisotopic mass
- 270.06742811
Names & identifiers
- Preferred name
- [(2S,3S)-3-Amino-4-oxoazetidin-2-yl]methyl 4-methylbenzene-1-sulfonate
- IUPAC
- [(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
61964-98-5SCHEMBL9915374DTXSID10710209[(2S,3S)-3-Amino-4-oxoazetidin-2-yl]methyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
61964-98-5- PubChem CID
- 54271663
- DTXSID
DTXSID10710209
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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