CAS 31460-31-8

(2Z)-4-((2,6-dimethylphenyl)amino)-4-oxobut-2-enoic acid

Description:

The chemical substance known as (2Z)-4-((2,6-dimethylphenyl)amino)-4-oxobut-2-enoic acid, with the CAS number 31460-31-8, is an organic compound characterized by its unique structural features. It contains a conjugated system with a double bond and a carbonyl group, which contributes to its reactivity and potential biological activity. The presence of the 2,6-dimethylphenyl group indicates that it has a bulky aromatic substituent, which can influence its solubility and interaction with biological targets. This compound is likely to exhibit properties typical of amino acids and derivatives, such as potential involvement in enzyme inhibition or modulation of metabolic pathways. Additionally, the presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions. Its structural configuration, particularly the Z-configuration of the double bond, may also affect its stereochemistry and biological activity. Overall, this compound's characteristics make it of interest in medicinal chemistry and drug development.

Formula: C₁₂H₁₃NO₃

InChI: InChI=1/C12H13NO3/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6-

SMILES: Cc1cccc(C)c1N=C(/C=C\C(=O)O)O

(2E)-4-[(2,6-dimethylphenyl)amino]-4-oxobut-2-enoic acid

CAS: 31460-31-8

Formula: C₁₂H₁₃NO₃

Molecular weight: 219.24

Ref: 10-F373441