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CAS 908495-37-4

:

4-{[(2-methylpropanoyl)amino]methyl}benzoic acid

Description:
4-{[(2-Methylpropanoyl)amino]methyl}benzoic acid, identified by its CAS number 908495-37-4, is an organic compound characterized by its complex structure that includes a benzoic acid moiety substituted with an amino group and a 2-methylpropanoyl group. This compound features both acidic and basic functional groups, which can influence its solubility and reactivity in various solvents. The presence of the benzoic acid structure suggests potential applications in pharmaceuticals, particularly in drug design, due to its ability to form hydrogen bonds and interact with biological targets. The 2-methylpropanoyl group adds steric hindrance, which may affect the compound's biological activity and binding affinity. Additionally, the compound's molecular weight and specific functional groups may contribute to its physical properties, such as melting point and solubility in polar and non-polar solvents. Overall, this compound's unique structure makes it a subject of interest in synthetic organic chemistry and medicinal chemistry research.
Formula:C12H15NO3
InChI:InChI=1/C12H15NO3/c1-8(2)11(14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
SMILES:CC(C)C(=NCc1ccc(cc1)C(=O)O)O
Synonyms:
  • 4-[(2-Methylpropanamido)Methyl]Benzoic Acid
  • Benzoic Acid, 4-[[(2-Methyl-1-Oxopropyl)Amino]Methyl]-
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