Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1- InChIKey
KATQZGNGQJYXSJ-KOLCDFICSA-N- Molecular formula
- C12H15NO5S
- Average molar mass
- 285.32 g/mol
Names & identifiers
- Preferred name
- trans-1-Benzenesulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
- IUPAC
- methyl (2S,4R)-1-(benzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylate
Names & synonyms
CHEMBL505724SCHEMBL5418223KATQZGNGQJYXSJ-KOLCDFICSA-NBDBM50253923N-(benzenesulfonyl)-trans-4-hydroxyproline methyl esterN-(benzenesulfonyl)-trans-4-hydroxyproline, methyl ester1-Benzenesulfonyl-4-hydroxy-pyrrolidine-2-carboxylicacid methyl estertrans-1-Benzenesulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 18445902
- ChEMBL
CHEMBL505724
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
2 records
Compound notes
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