Basic information
- Standard SMILES
COC(=O)[C@H]1CC(=O)N(c2ccc(O)cc2)C1- InChIKey
LNCZWDCYTJRWGX-QMMMGPOBSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- (S)-1-(4-hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
- IUPAC
- methyl (3S)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL3365627LNCZWDCYTJRWGX-QMMMGPOBSA-N(S)-1-(4-hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 785701
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
3 records
Compound notes
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