CAS 905811-05-4

3-[(5-Chloro-2-methylphenyl)amino]-3-oxopropanoic acid

Description:

3-[(5-Chloro-2-methylphenyl)amino]-3-oxopropanoic acid, identified by its CAS number 905811-05-4, is a chemical compound that features a propanoic acid backbone with an amino group and a chloro-substituted aromatic ring. This compound is characterized by its potential biological activity, often explored in pharmaceutical research due to its structural components that may interact with biological targets. The presence of the chloro group enhances its lipophilicity, which can influence its absorption and distribution in biological systems. The amino group can participate in hydrogen bonding, affecting its solubility and reactivity. Additionally, the oxo group contributes to the compound's acidity and reactivity, making it a potential candidate for various chemical reactions. Overall, this compound's unique structure may provide insights into its function and applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific safety and handling guidelines should be followed due to the presence of chlorine, which can pose health risks.

Formula: C₁₀H₁₀ClNO₃

InChI: InChI=1/C10H10ClNO3/c1-6-2-3-7(11)4-8(6)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)

InChI key: InChIKey=TUXXXTLXVKEGJC-UHFFFAOYSA-N

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

Synonyms:

• 2-[(5-Chloro-2-methylphenyl)carbamoyl]acetic acid
• Propanoic acid, 3-[(5-chloro-2-methylphenyl)amino]-3-oxo-
• 3-[(5-Chloro-2-methylphenyl)amino]-3-oxopropanoic acid

3-[(5-chloro-2-methylphenyl)amino]-3-oxopropanoic acid

CAS: 905811-05-4

Formula: C₁₀H₁₀ClNO₃

Molecular weight: 227.6443

Ref: IN-DA006CE8