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CAS 120686-17-1

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

Description:
1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate, with the CAS number 120686-17-1, 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 benzenebutanoate moiety, indicating potential biological activity, particularly in pharmaceutical applications. Its stereochemistry is defined by the (βS) configuration, which may influence its interaction with biological targets, such as receptors or enzymes. The presence of both hydrophilic (amino) and hydrophobic (tert-butyl) components suggests that it may exhibit amphiphilic properties, potentially affecting its solubility and permeability in biological systems. Additionally, the compound's structure may allow for various synthetic modifications, making it a candidate for further research in medicinal chemistry. Overall, 1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate is of interest for its potential applications in drug development and its unique structural features.
Formula:C14H21NO2
InChI:InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3/t12-/m0/s1
InChI key:InChIKey=ZIJHIHDFXCNFAA-LBPRGKRZSA-N
SMILES:C([C@@H](CC(OC(C)(C)C)=O)N)C1=CC=CC=C1
Synonyms:
  • (2R)-4-tert-butoxy-4-oxo-1-phenylbutan-2-aminium
  • (S)-1,1-Dimethylethyl-3-Amino 4-Phenylbutanoate
  • 1,1-Dimethylethyl (3S)-3-Amino-4-Phenylbutanoate
  • 1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate
  • Benzenebutanoic acid, β-amino-, 1,1-dimethylethyl ester, (S)-
  • Benzenebutanoic acid, β-amino-, 1,1-dimethylethyl ester, (βS)-
  • T-Butyl(3S)-3-Amino-4-Phenylbutanoate
  • tert-Butyl (S)-3-amino-4-phenylbutanoate
  • tert-Butyl (3S)-3-amino-4-phenylbutanoate
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