Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)CC2CC2)CN1C(=O)CC(C)=O- InChIKey
WOHLGYBOTPBMKD-NEPJUHHUSA-N- Molecular formula
- C14H21NO6S
- Average molar mass
- 331.39 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-cyclopropylmethanesulfonyl-1-(3-oxo-butyryl)-pyrrolidine-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl (2S,4R)-4-(cyclopropylmethylsulfonyl)-1-(3-oxobutanoyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL2105252WOHLGYBOTPBMKD-NEPJUHHUSA-N(2S,4R)-4-cyclopropylmethanesulfonyl-1-(3-oxo-butyryl)-pyrrolidine-2-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 86646863
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 575
Related reactions
2 records
Compound notes
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