Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](S(C)(=O)=O)CN1C(=O)CC(C)=O- InChIKey
ZASGOTKKDWYWKI-BDAKNGLRSA-N- Molecular formula
- C11H17NO6S
- Average molar mass
- 291.32 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-Methanesulfonyl-1-(3-oxo-butyryl)-pyrrolidine-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl (2S,4R)-4-methylsulfonyl-1-(3-oxobutanoyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL2106422ZASGOTKKDWYWKI-BDAKNGLRSA-N(2S,4R)-4-Methanesulfonyl-1-(3-oxo-butyryl)-pyrrolidine-2-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 86646865
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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