Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1OC(F)(F)F)C(=O)O- InChIKey
AKVJZVWRAGZHHJ-NSHDSACASA-N- Molecular formula
- C16H20F3NO6
- Average molar mass
- 379.33 g/mol
Names & identifiers
- Preferred name
- (S)-2-(tert-butoxycarbonylamino)-3-(2-(trifluoromethoxy)benzyloxy)propanoic acid
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[2-(trifluoromethoxy)phenyl]methoxy]propanoic acid
Names & synonyms
(S)-2-(tert-butoxycarbonylamino)-3-(2-(trifluoromethoxy)benzyloxy)propanoic acidSCHEMBL1371645
Database identifiers
- PubChem CID
- 67009145
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
Related reactions
1 records
Compound notes
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