CAS 1032039-85-2

2-[(2-Methoxybenzoyl)amino]-4-(methylsulfonyl)butanoic acid

Description:

2-[(2-Methoxybenzoyl)amino]-4-(methylsulfonyl)butanoic acid, identified by its CAS number 1032039-85-2, is a synthetic organic compound characterized by its complex structure, which includes a butanoic acid backbone substituted with a methoxybenzoyl group and a methylsulfonyl group. This compound typically exhibits properties associated with both amides and carboxylic acids, such as potential solubility in polar solvents and the ability to participate in hydrogen bonding due to the presence of the carboxylic acid functional group. The methoxybenzoyl moiety may contribute to its lipophilicity, while the methylsulfonyl group can enhance its reactivity and influence its biological activity. Such compounds are often studied for their potential pharmaceutical applications, particularly in the fields of anti-inflammatory or analgesic agents. The presence of multiple functional groups suggests that it may engage in various chemical reactions, making it a subject of interest in medicinal chemistry and drug design.

Formula: C₁₃H₁₇NO₆S

InChI: InChI=1S/C13H17NO6S/c1-20-11-6-4-3-5-9(11)12(15)14-10(13(16)17)7-8-21(2,18)19/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)

InChI key: InChIKey=DDTVYRVUEMUBRK-UHFFFAOYSA-N

SMILES: C(NC(CCS(C)(=O)=O)C(O)=O)(=O)C1=C(OC)C=CC=C1

Synonyms:

• 2-[(2-Methoxybenzoyl)amino]-4-(methylsulfonyl)butanoic acid
• Butanoic acid, 2-[(2-methoxybenzoyl)amino]-4-(methylsulfonyl)-