Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)c1ccc(Cl)cc1- InChIKey
JBELXLYIIBIIDY-ZDUSSCGKSA-N- Molecular formula
- C16H20ClNO3
- Average molar mass
- 309.79 g/mol
- Monoisotopic mass
- 309.1131712
Names & identifiers
- Preferred name
- (S)-2-(4-chloro-benzoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-2-(4-chlorobenzoyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1429462JBELXLYIIBIIDY-ZDUSSCGKSA-N(S)-2-(4-chloro-benzoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58409151
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
1 records
Compound notes
Loading…