Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)cc1- InChIKey
UAFPTDLCLKLJKA-UMJHXOGRSA-N- Molecular formula
- C12H15NO5S
- Average molar mass
- 285.32 g/mol
Names & identifiers
- Preferred name
- 1-(4-Toluenesulfonyl)-4-hydroxy-L-proline
- IUPAC
- (2S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL9215362N-p-toluenesulfonyl-allo-l-hydroxyproline1-(4-Toluenesulfonyl)-4-hydroxy-L-proline4-Hydroxy-1-[(4-methylphenyl)sulfonyl]proline #
Database identifiers
- PubChem CID
- 21140409
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 436
Related reactions
4 records
Compound notes
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