Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)[C@H]1CNC[C@@H]1c1ccc(Cl)c(Cl)c1- InChIKey
AKDDGBOFNAEWAT-RISCZKNCSA-N- Molecular formula
- C16H22Cl2N2O2
- Average molar mass
- 345.3 g/mol
Names & identifiers
- Preferred name
- Rel-tert-butyl ((3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl)(methyl)carbamate
- IUPAC
- tert-butyl N-[(3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylcarbamate
Names & synonyms
Rel-tert-butyl ((3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl)(methyl)carbamateSCHEMBL1974817AKDDGBOFNAEWAT-RISCZKNCSA-N[(3R,4S)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester1201187-22-5rac-[(3R,4S)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58009331
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
5 records
Compound notes
Loading…