Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O- InChIKey
ZLRORULNBCXTRC-GFCCVEGCSA-N- Molecular formula
- C16H20F3NO4
- Average molar mass
- 347.33 g/mol
- Monoisotopic mass
- 347.13444261
Names & identifiers
- Preferred name
- (2R)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-[4-(trifluoromethyl)phenyl]-propanoic acid
- IUPAC
- (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
Names & synonyms
(2R)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-[4-(trifluoromethyl)phenyl]-propanoic acidSCHEMBL2855592(2R)-2-[(tert-butoxycarbonyl) (methyl)amino]-3-[4-(trifluoromethyl)phenyl]-propanoic acid
Database identifiers
- PubChem CID
- 68418563
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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