CAS 1025058-90-5

2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid

Description:

2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid, identified by its CAS number 1025058-90-5, is an organic compound characterized by its complex structure, which includes an amino group, a sulfonyl group, and a carboxylic acid functional group. This compound features a butanoic acid backbone, which is substituted at the second position with a 3-methylbenzoyl amino group and at the fourth position with a methylsulfonyl group. The presence of the methylsulfonyl group enhances its solubility in polar solvents and may influence its biological activity. The compound's molecular structure suggests potential applications in pharmaceuticals, particularly in drug design, due to its ability to interact with biological targets. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound exemplifies the complexity and diversity of organic molecules used in various chemical and biological applications.

Formula: C₁₃H₁₇NO₅S

InChI: InChI=1S/C13H17NO5S/c1-9-4-3-5-10(8-9)12(15)14-11(13(16)17)6-7-20(2,18)19/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)

InChI key: InChIKey=BNZMWIGCXULVPF-UHFFFAOYSA-N

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

Synonyms:

• 2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid
• Butanoic acid, 2-[(3-methylbenzoyl)amino]-4-(methylsulfonyl)-

4-Methanesulfonyl-2-[(3-methylphenyl)formamido]butanoic acid

CAS: 1025058-90-5

Versatile small molecule scaffold

Formula: C₁₃H₁₇NO₅S

Purity: Min. 95%

Molecular weight: 299.34 g/mol

Ref: 3D-ARB05890