CAS 890983-61-6

3-[(2-methylbutanoyl)amino]benzoic acid

Description:

3-[(2-Methylbutanoyl)amino]benzoic acid, identified by its CAS number 890983-61-6, is an organic compound characterized by the presence of both an amino group and a carboxylic acid functional group, which classifies it as an amino acid derivative. The structure features a benzoic acid moiety substituted at the meta position with a 2-methylbutanoyl amino group. This compound exhibits properties typical of amino acids, such as the ability to form hydrogen bonds due to its polar functional groups, which can influence its solubility in water and organic solvents. The presence of the bulky 2-methylbutanoyl group may affect its steric properties and reactivity. Additionally, the compound may participate in various chemical reactions, including acylation and amidation, making it of interest in synthetic organic chemistry and potentially in pharmaceutical applications. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied.

Formula: C₁₂H₁₅NO₃

InChI: InChI=1/C12H15NO3/c1-3-8(2)11(14)13-10-6-4-5-9(7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)

SMILES: CCC(C)C(=Nc1cccc(c1)C(=O)O)O

Synonyms:

• Benzoic Acid, 3-[(2-Methyl-1-Oxobutyl)Amino]-

3-(2-Methylbutanamido)benzoic acid

CAS: 890983-61-6

Formula: C₁₂H₁₅NO₃

Molecular weight: 221.2524

Ref: IN-DA003YKC