(2R,3S)-2-(3-Chloro-4-cyano-2-propylphenylamino)-3-hydroxybutanoic acid

HCID 66624971
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Basic information

Standard SMILES
CCCc1c(N[C@@H](C(=O)O)[C@H](C)O)ccc(C#N)c1Cl
InChIKey
JDKKHYJWQNOWFE-ISVAXAHUSA-N
Molecular formula
C14H17ClN2O3
Average molar mass
296.75 g/mol
Monoisotopic mass
296.0927701

Names & identifiers

Preferred name
(2R,3S)-2-(3-Chloro-4-cyano-2-propylphenylamino)-3-hydroxybutanoic acid
IUPAC
(2R,3S)-2-(3-chloro-4-cyano-2-propylanilino)-3-hydroxybutanoic acid

Names & synonyms

SCHEMBL222077JDKKHYJWQNOWFE-ISVAXAHUSA-N(2R,3S)-2-(3-Chloro-4-cyano-2-propylphenylamino)-3-hydroxybutanoic acid

Database identifiers

PubChem CID
66624971

Properties

Computed structural properties

XLogP
3
Topological polar surface area
93.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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