Basic information
- Standard SMILES
Cc1c(N[C@@H](C(=O)O)[C@H](C)O)ccc(C#N)c1C(F)(F)F- InChIKey
BIHQESNPPMUMCA-WRWORJQWSA-N- Molecular formula
- C13H13F3N2O3
- Average molar mass
- 302.25 g/mol
Names & identifiers
- Preferred name
- (2r,3s)-2-(4-Cyano-2-methyl-3-(trifluoromethyl)phenylamino)-3-hydroxybutanoic acid
- IUPAC
- (2R,3S)-2-[4-cyano-2-methyl-3-(trifluoromethyl)anilino]-3-hydroxybutanoic acid
Names & synonyms
(2r,3s)-2-(4-cyano-2-methyl-3-(trifluoromethyl)phenylamino)-3-hydroxybutanoic acidSCHEMBL1291443
Database identifiers
- PubChem CID
- 66980937
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
4 records
Compound notes
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