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

HCID 67006383
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1c(N[C@@H](C(=O)O)[C@H](C)O)ccc(C#N)c1Cl
InChIKey
DWGVUUPWHIKPSU-JVXZTZIISA-N
Molecular formula
C13H15ClN2O3
Average molar mass
282.72 g/mol
Monoisotopic mass
282.07712

Names & identifiers

Preferred name
(2R,3S)-2-(3-chloro-4-cyano-2-ethylphenylamino)-3-hydroxybutanoic acid
IUPAC
(2R,3S)-2-(3-chloro-4-cyano-2-ethylanilino)-3-hydroxybutanoic acid

Names & synonyms

SCHEMBL1364311DWGVUUPWHIKPSU-JVXZTZIISA-N(2R,3S)-2-(3-chloro-4-cyano-2-ethylphenylamino)-3-hydroxybutanoic acid

Database identifiers

PubChem CID
67006383

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
93.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Related reactions

12 records
New reaction record

Linked notes

Loading…