CAS 1001611-03-5

3-(Acetylamino)-5-methylhexanoic acid

Description:

3-(Acetylamino)-5-methylhexanoic acid, identified by its CAS number 1001611-03-5, is an organic compound characterized by its structure, which includes an acetylamino group and a branched hexanoic acid backbone. This compound features a carboxylic acid functional group, which imparts acidic properties, and an acetylamino group that enhances its solubility in polar solvents. The presence of the methyl group at the fifth carbon position contributes to its hydrophobic characteristics, influencing its interactions in biological systems. This compound may exhibit biological activity, potentially serving as a precursor or intermediate in the synthesis of pharmaceuticals or agrochemicals. Its molecular structure suggests it could participate in various chemical reactions, including acylation and amidation. Additionally, the compound's stability, reactivity, and solubility can be affected by environmental conditions such as pH and temperature. Overall, 3-(Acetylamino)-5-methylhexanoic acid is of interest in both synthetic chemistry and potential applications in medicinal chemistry.

Formula: C₉H₁₇NO₃

InChI: InChI=1S/C9H17NO3/c1-6(2)4-8(5-9(12)13)10-7(3)11/h6,8H,4-5H2,1-3H3,(H,10,11)(H,12,13)

InChI key: InChIKey=QXVNWFGYESVXFT-UHFFFAOYSA-N

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

Synonyms:

• Hexanoic acid, 3-(acetylamino)-5-methyl-
• 3-Acetamido-5-methylhexanoic acid
• 3-(Acetylamino)-5-methylhexanoic acid