n-t-Butyl-4(s)-phenoxy-l-prolineamide trifluoroacetic acid salt
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Basic information
- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1.O=C(O)C(F)(F)F- InChIKey
CTQSUAMBYSCQLR-QNTKWALQSA-N- Molecular formula
- C17H23F3N2O4
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- n-t-Butyl-4(s)-phenoxy-l-prolineamide trifluoroacetic acid salt
- IUPAC
- (2S,4S)-N-tert-butyl-4-phenoxypyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
n-t-butyl-4(s)-phenoxy-l-prolineamide trifluoroacetic acid saltSCHEMBL6419215
Database identifiers
- PubChem CID
- 22862000
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 389
Related reactions
8 records
Compound notes
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