Basic information
- Standard SMILES
CC(O)C(Nc1ccc(C#N)c(Cl)c1)C(=O)O- InChIKey
PNUMYQLEKOFXSG-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3
- Average molar mass
- 254.67 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-cyanoanilino)-3-hydroxybutanoic acid
- IUPAC
- 2-(3-chloro-4-cyanoanilino)-3-hydroxybutanoic acid
Names & synonyms
SCHEMBL1291503
Database identifiers
- PubChem CID
- 66980958
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Related reactions
3 records
Compound notes
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