Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN(Cc1cccc(N)c1)C(=O)C(F)(F)F- InChIKey
KRUKRTPVMLIXSF-UHFFFAOYSA-N- Molecular formula
- C15H19F3N2O3
- Average molar mass
- 332.32 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-(3-aminobenzyl)-N-(trifluoroacetyl)glycinate
- IUPAC
- tert-butyl 2-[(3-aminophenyl)methyl-(2,2,2-trifluoroacetyl)amino]acetate
Names & synonyms
tert-butyl N-(3-aminobenzyl)-N-(trifluoroacetyl)glycinateSCHEMBL15876107
Database identifiers
- PubChem CID
- 90282000
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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