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CAS 120686-18-2

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1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate

Description:
1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate, with the CAS number 120686-18-2, is a chemical compound that belongs to the class of amino acid derivatives. It features a branched alkyl group, specifically a tert-butyl group, which contributes to its hydrophobic characteristics. The compound contains an amino group and a propanoate moiety, indicating potential for biological activity, particularly in interactions with biological receptors or enzymes. Its stereochemistry is defined by the (βS) configuration, which may influence its pharmacological properties and interactions in biological systems. The presence of the aromatic benzene ring suggests potential for π-π stacking interactions, which can be significant in drug design and molecular recognition. Additionally, the compound's solubility and stability can be influenced by the presence of the tert-butyl group, making it a subject of interest in medicinal chemistry and organic synthesis. Overall, this compound's unique structure may provide insights into its potential applications in pharmaceuticals or as a biochemical probe.
Formula:C13H19NO2
InChI:InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m0/s1
InChI key:InChIKey=TYYCBAISLMKLMT-NSHDSACASA-N
SMILES:[C@@H](CC(OC(C)(C)C)=O)(N)C1=CC=CC=C1
Synonyms:
  • Benzenepropanoic acid, β-amino-, 1,1-dimethylethyl ester, (S)-
  • tert-Butyl (S)-3-amino-3-phenylpropanoate
  • 1,1-Dimethylethyl (βS)-β-aminobenzenepropanoate
  • Benzenepropanoic acid, β-amino-, 1,1-dimethylethyl ester, (βS)-
  • tert-Butyl (3S)-3-amino-3-phenylpropanoate
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