CAS 1196690-95-5

(βR)-β-Amino-4-ethylbenzenepropanoic acid

Description:

(βR)-β-Amino-4-ethylbenzenepropanoic acid, identified by its CAS number 1196690-95-5, is an amino acid derivative characterized by the presence of both an amino group and a carboxylic acid group, which are typical features of amino acids. This compound exhibits chirality, with the (βR) designation indicating its specific stereochemistry. The ethyl group attached to the benzene ring contributes to its hydrophobic characteristics, while the amino and carboxylic acid functional groups impart polar properties, allowing for potential interactions in biological systems. The presence of the aromatic ring may also influence its solubility and reactivity. This compound is of interest in various fields, including medicinal chemistry and biochemistry, due to its potential role as a building block in the synthesis of pharmaceuticals or as a biochemical probe. Its specific properties, such as melting point, solubility, and reactivity, would depend on its molecular structure and the surrounding environment.

Formula: C₁₁H₁₅NO₂

InChI: InChI=1S/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m1/s1

InChI key: InChIKey=CZOSHSPOVINZEF-SNVBAGLBSA-N

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

Synonyms:

• (3R)-3-Amino-3-(4-ethylphenyl)propanoic acid
• (R)-3-Amino-3-(4-ethylphenyl)propanoic acid
• Benzenepropanoic acid, β-amino-4-ethyl-, (βR)-
• (βR)-β-Amino-4-ethylbenzenepropanoic acid