Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@@H](CO)CC[C@H]1c1ccc(Cl)cc1- InChIKey
FWEZETVLLWRPJQ-KGLIPLIRSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-2-(4-chlorophenyl)-5-hydroxymethyl-pyrrolidine-1-carboxylic acid t-butyl ester
- IUPAC
- tert-butyl (2S,5R)-2-(4-chlorophenyl)-5-(hydroxymethyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2354075FWEZETVLLWRPJQ-KGLIPLIRSA-N(2S,5R)-2-(4-chlorophenyl)-5-hydroxymethyl-pyrrolidine-1-carboxylic acid t-butyl ester(2s,5r)-2-(4-chlorophenyl)-5-hydroxymethyl-pyrrolidine-1-carboxylic acid_t-butyl ester
Database identifiers
- PubChem CID
- 67375406
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
1 records
Compound notes
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