1-(1,1-Dimethylethyl) 2-(2,2,2-trichloroethyl) (2S,4S)-4-[2-oxo-2-(phenylmethoxy)ethyl]-1,2-pyrrolidinedicarboxylate
Basic information
- CAS
224645-86-7- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](CC(=O)OCc2ccccc2)C[C@H]1C(=O)OCC(Cl)(Cl)Cl- InChIKey
GSQDPRPGTHUAPW-HOTGVXAUSA-N- Molecular formula
- C21H26Cl3NO6
- Average molar mass
- 494.8 g/mol
- Monoisotopic mass
- 493.082571
Names & identifiers
- Preferred name
- 1-(1,1-Dimethylethyl) 2-(2,2,2-trichloroethyl) (2S,4S)-4-[2-oxo-2-(phenylmethoxy)ethyl]-1,2-pyrrolidinedicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate
Names & synonyms
NSC715407CHEMBL1977094DTXSID301106434NSC-7154071-(1,1-Dimethylethyl) 2-(2,2,2-trichloroethyl) (2S,4S)-4-[2-oxo-2-(phenylmethoxy)ethyl]-1,2-pyrrolidinedicarboxylate224645-86-7NCI60_039848
Database identifiers
- CAS
224645-86-7- PubChem CID
- 401677
- DTXSID
DTXSID301106434- ChEMBL
CHEMBL1977094
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
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Compound notes
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