CAS 951174-49-5

(βS)-β-Amino-2,4-dimethoxybenzenepropanoic acid

Description:

(βS)-β-Amino-2,4-dimethoxybenzenepropanoic acid, identified by its CAS number 951174-49-5, is an organic compound characterized by its amino acid structure, which includes a propanoic acid backbone and a substituted aromatic ring. The presence of two methoxy groups at the 2 and 4 positions of the benzene ring contributes to its unique chemical properties, influencing its solubility and reactivity. As a β-amino acid, it features an amino group adjacent to the carboxylic acid, which can participate in various biochemical interactions. This compound may exhibit potential biological activity, making it of interest in pharmaceutical research. Its stereochemistry, indicated by the (βS) designation, suggests specific spatial arrangements that can affect its interaction with biological targets. The compound's stability, solubility, and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both laboratory and potential therapeutic applications. Overall, (βS)-β-Amino-2,4-dimethoxybenzenepropanoic acid represents a structurally interesting molecule with potential implications in medicinal chemistry.

Formula: C₁₁H₁₅NO₄

InChI: InChI=1S/C11H15NO4/c1-15-7-3-4-8(10(5-7)16-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)/t9-/m0/s1

InChI key: InChIKey=RYDBREOLOYHYQB-VIFPVBQESA-N

SMILES: [C@@H](CC(O)=O)(N)C1=C(OC)C=C(OC)C=C1

Synonyms:

• Benzenepropanoic acid, β-amino-2,4-dimethoxy-, (βS)-
• (3S)-3-Amino-3-(2,4-dimethoxyphenyl)propanoic acid
• (βS)-β-Amino-2,4-dimethoxybenzenepropanoic acid