(2r,3s)-2-(4-Cyano-3-(trifluoromethyl)phenylamino)-3-hydroxybutanoic acid

HCID 67006262
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Basic information

Standard SMILES
C[C@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O
InChIKey
KIXUDDJBUMRCHZ-QUBYGPBYSA-N
Molecular formula
C12H11F3N2O3
Average molar mass
288.22 g/mol
Monoisotopic mass
288.0721767

Names & identifiers

Preferred name
(2r,3s)-2-(4-Cyano-3-(trifluoromethyl)phenylamino)-3-hydroxybutanoic acid
IUPAC
(2R,3S)-2-[4-cyano-3-(trifluoromethyl)anilino]-3-hydroxybutanoic acid

Names & synonyms

(2r,3s)-2-(4-cyano-3-(trifluoromethyl)phenylamino)-3-hydroxybutanoic acidSCHEMBL1363920

Database identifiers

PubChem CID
67006262

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
93.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
20

Related reactions

4 records
New reaction record

Compound notes

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