Basic information
- Standard SMILES
C=CCOC(=O)C(O)N1C(=O)CC1SC(C)=O- InChIKey
MBPVBOSMBQZYJR-UHFFFAOYSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.05144369
Names & identifiers
- Preferred name
- 1-(Allyloxycarbonylhydroxymethyl)-4-acetylthioazetidin-2-one
- IUPAC
- prop-2-enyl 2-(2-acetylsulfanyl-4-oxoazetidin-1-yl)-2-hydroxyacetate
Names & synonyms
SCHEMBL11287685MBPVBOSMBQZYJR-UHFFFAOYSA-N1-(allyloxycarbonylhydroxymethyl)-4-acetylthioazetidin-2-one
Database identifiers
- PubChem CID
- 20552000
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
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