Basic information
- Standard SMILES
CC(CC(NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F- InChIKey
WKKAABMAKGDZGU-UHFFFAOYSA-N- Molecular formula
- C14H16F3NO4
- Average molar mass
- 319.28 g/mol
Names & identifiers
- Preferred name
- 2-{[(Benzyloxy)carbonyl]amino}-5,5,5-trifluoro-4-methylpentanoic acid
- IUPAC
- 5,5,5-trifluoro-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Names & synonyms
2-{[(benzyloxy)carbonyl]amino}-5,5,5-trifluoro-4-methylpentanoic acid69896-60-2SCHEMBL18762607WKKAABMAKGDZGU-UHFFFAOYSA-NEN300-282936865,5,5-trifluoro-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Database identifiers
- PubChem CID
- 76540413
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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