Basic information
- Standard SMILES
CC(C)CN(Cc1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)C1- InChIKey
QXIXXXFDQPFANK-UHFFFAOYSA-N- Molecular formula
- C20H31ClN2O2
- Average molar mass
- 366.9 g/mol
- Monoisotopic mass
- 366.2074059
Names & identifiers
- Preferred name
- 3-[(4-Chloro-benzyl)-isobutyl-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[(4-chlorophenyl)methyl-(2-methylpropyl)amino]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL653650QXIXXXFDQPFANK-UHFFFAOYSA-N3-[(4-Chloro-benzyl)-isobutyl-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66758166
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Related reactions
11 records
Compound notes
Loading…