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CAS 678969-19-2

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β-Amino-3-methylbenzenebutanoic acid

Description:
β-Amino-3-methylbenzenebutanoic acid, identified by its CAS number 678969-19-2, 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. This compound features a butanoic acid backbone with a methyl-substituted phenyl group at the β-position, contributing to its unique structural properties. The presence of the amino group allows for potential interactions in biological systems, making it of interest in pharmaceutical and biochemical research. Its solubility in polar solvents, such as water, is influenced by the carboxylic acid and amino groups, which can engage in hydrogen bonding. Additionally, the compound's stereochemistry may play a role in its biological activity and interactions with receptors or enzymes. Overall, β-Amino-3-methylbenzenebutanoic acid is a compound with potential applications in medicinal chemistry, particularly in the development of new therapeutic agents.
Formula:C11H15NO2
InChI:InChI=1S/C11H15NO2/c1-8-3-2-4-9(5-8)6-10(12)7-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)
InChI key:InChIKey=SMOOMZALOMCYEF-UHFFFAOYSA-N
SMILES:C(C(CC(O)=O)N)C1=CC(C)=CC=C1
Synonyms:
  • β-Amino-3-methylbenzenebutanoic acid
  • 3-Amino-4-(m-tolyl)butanoic acid
  • (RS)-3-Amino-4-(3-methylphenyl)butanoic acid
  • 3-Amino-4-(3-methylphenyl)butyric acid
  • Benzenebutanoic acid, β-amino-3-methyl-
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