CAS 861212-79-5

N-[[(3-Chlorophenyl)amino]carbonyl]-β-alanine methyl ester

Description:

N-[[(3-Chlorophenyl)amino]carbonyl]-β-alanine methyl ester, identified by its CAS number 861212-79-5, is a chemical compound that features a β-alanine backbone modified with a methyl ester group and a 3-chlorophenyl amino carbonyl substituent. This compound is characterized by its structural complexity, which includes an aromatic ring that contributes to its potential biological activity. The presence of the chlorophenyl group may enhance lipophilicity, influencing its solubility and permeability in biological systems. The methyl ester functionality can affect the compound's reactivity and stability, as esters are generally more susceptible to hydrolysis. Additionally, the amino and carbonyl groups suggest potential for hydrogen bonding, which may play a role in its interactions with biological targets. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features that could impart specific biological properties. However, detailed studies would be necessary to fully elucidate its characteristics and potential applications.

Formula: C₁₁H₁₃ClN₂O₃

InChI: InChI=1S/C11H13ClN2O3/c1-17-10(15)5-6-13-11(16)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H2,13,14,16)

InChI key: InChIKey=QOFBJFXNWIGVCE-UHFFFAOYSA-N

SMILES: N(C(NCCC(OC)=O)=O)C1=CC(Cl)=CC=C1

Synonyms:

• β-Alanine, N-[[(3-chlorophenyl)amino]carbonyl]-, methyl ester
• Methyl 3-{[(3-chlorophenyl)carbamoyl]amino}propanoate
• Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate
• N-[[(3-Chlorophenyl)amino]carbonyl]-β-alanine methyl ester