(2R,3S)-2-((3-chloro-4-cyano-2-methylphenyl)amino)-3-hydroxybutanoic acid

HCID 66980943
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Basic information

Standard SMILES
Cc1c(NC(C(=O)O)C(C)O)ccc(C#N)c1Cl
InChIKey
QDUXEUWZKSXNSH-UHFFFAOYSA-N
Molecular formula
C12H13ClN2O3
Average molar mass
268.69 g/mol
Monoisotopic mass
268.06147

Names & identifiers

Preferred name
(2R,3S)-2-((3-chloro-4-cyano-2-methylphenyl)amino)-3-hydroxybutanoic acid
IUPAC
2-(3-chloro-4-cyano-2-methylanilino)-3-hydroxybutanoic acid

Names & synonyms

1182366-63-7SCHEMBL1291460(2R,3S)-2-((3-chloro-4-cyano-2-methylphenyl)amino)-3-hydroxybutanoic acid

Database identifiers

PubChem CID
66980943

Properties

Computed structural properties

XLogP
2
Topological polar surface area
93.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18

Related reactions

25 records
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Compound notes

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