CAS 915923-42-1

3-[(3,3-Dimethyl-1-oxobutyl)amino]benzoic acid

Description:

3-[(3,3-Dimethyl-1-oxobutyl)amino]benzoic acid, identified by its CAS number 915923-42-1, is an organic compound characterized by its structure, which includes a benzoic acid moiety and a side chain featuring a dimethyl-substituted amine. This compound typically exhibits properties associated with both aromatic and aliphatic systems, including potential hydrophobic interactions due to the aromatic ring and polar characteristics from the carboxylic acid functional group. The presence of the dimethyl group can influence its steric hindrance and solubility in various solvents. As an amino acid derivative, it may participate in various chemical reactions, including amide formation and esterification. The compound's biological activity could be of interest in pharmaceutical applications, particularly in drug design, due to its ability to interact with biological targets. Its stability, reactivity, and solubility will depend on the specific conditions, such as pH and temperature, making it a versatile compound for research and development in organic chemistry and medicinal chemistry.

Formula: C₁₃H₁₇NO₃

InChI: InChI=1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-5-9(7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)

InChI key: InChIKey=FLPJVCYHCRNXQX-UHFFFAOYSA-N

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

Synonyms:

• 3-[(3,3-Dimethyl-1-oxobutyl)amino]benzoic acid
• Benzoic Acid, 3-[(3,3-Dimethyl-1-Oxobutyl)Amino]-
• 3-[(3,3-Dimethylbutanoyl)amino]benzoic acid