Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCNC1- InChIKey
SIHQHRIGJIEHEN-GFCCVEGCSA-N- Molecular formula
- C19H25F3N4O4
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.18278978
Names & identifiers
- Preferred name
- (R)-3-[[N-(2-(tert-butoxycarbonylamino)-5-trifluoromethylbenzoyl)glycyl]amino]pyrrolidine
- IUPAC
- tert-butyl N-[2-[[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate
Names & synonyms
(R)-3-[[N-(2-(tert-butoxycarbonylamino)-5-trifluoromethylbenzoyl)glycyl]amino]pyrrolidine(R)-3-[{N-(2-(tert-butoxycarbonylamino)-5-trifluoromethylbenzoyl)glycyl}amino]pyrrolidineSCHEMBL4850015
Database identifiers
- PubChem CID
- 54307129
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Related reactions
13 records
Compound notes
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