CAS 777-49-1

β-Amino-3-fluoro-4-hydroxybenzenepropanoic acid

Description:

β-Amino-3-fluoro-4-hydroxybenzenepropanoic acid, also known by its CAS number 777-49-1, is an organic compound characterized by its amino, hydroxy, and fluoro functional groups attached to a benzene ring. This compound features a propanoic acid moiety, which contributes to its acidic properties. The presence of the amino group typically imparts basic characteristics, allowing it to participate in various chemical reactions, including those involving amino acid synthesis or modifications. The hydroxy group enhances its solubility in polar solvents and can also engage in hydrogen bonding, influencing its reactivity and interaction with biological systems. The fluorine atom introduces unique electronic properties, potentially affecting the compound's stability and reactivity. β-Amino-3-fluoro-4-hydroxybenzenepropanoic acid may have applications in pharmaceuticals, particularly in the development of drugs that target specific biological pathways. Its structural features suggest potential roles in medicinal chemistry, where modifications to amino acids can lead to novel therapeutic agents.

Formula: C₉H₁₀FNO₃

InChI: InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)7(11)4-9(13)14/h1-3,7,12H,4,11H2,(H,13,14)

InChI key: InChIKey=PMUBHZTWIULNLE-UHFFFAOYSA-N

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

Synonyms:

• β-Amino-3-fluoro-4-hydroxybenzenepropanoic acid
• Hydrocinnamic acid, β-amino-3-fluoro-4-hydroxy-
• Benzenepropanoic acid, β-amino-3-fluoro-4-hydroxy-
• 3-Amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid