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CAS 952616-39-6

:

rel-(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid

Description:
Rel-(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid, identified by its CAS number 952616-39-6, is a chemical compound characterized by its cyclohexane structure, which features a carboxylic acid functional group and an amine group that is protected by a phenylmethoxycarbonyl (PMOC) moiety. This compound exhibits chirality, with specific stereochemistry at the 1R and 3S positions, which can influence its biological activity and interactions. The presence of the phenylmethoxy group enhances its lipophilicity, potentially affecting its solubility and permeability in biological systems. As a derivative of cyclohexanecarboxylic acid, it may participate in various chemical reactions typical of amino acids, such as peptide bond formation. Its structural features suggest potential applications in medicinal chemistry, particularly in the design of pharmaceuticals targeting specific biological pathways. The compound's stability, reactivity, and interactions with other molecules would be influenced by its functional groups and stereochemistry, making it a subject of interest in both synthetic and medicinal chemistry research.
Formula:C15H19NO4
InChI:InChI=1/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/s2
InChI key:InChIKey=LTEORMGXUMWZCU-QWAQRTLVNA-N
SMILES:N(C(OCC1=CC=CC=C1)=O)[C@@H]2C[C@H](C(O)=O)CCC2
Synonyms:
  • 3-{[(Benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, (1R,3S)-rel-
  • cis-3-(((Benzyloxy)carbonyl)amino)cyclohexanecarboxylic acid
  • rel-(1R,3S)-3-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid
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