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CAS 500556-91-2

:

rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate

Description:
Rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate, identified by CAS number 500556-91-2, is a bicyclic compound characterized by its unique structural framework, which includes a nitrogen atom within a bicyclic system. This compound features two carboxylate functional groups, contributing to its potential as a versatile building block in organic synthesis and medicinal chemistry. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its biological activity and solubility properties. The specific stereochemistry indicated by the (1R,2S,4S) configuration suggests that the compound may exhibit chiral properties, potentially affecting its interaction with biological targets. Such compounds are often investigated for their pharmacological properties, including their role as enzyme inhibitors or receptor modulators. Overall, the structural and functional characteristics of this compound make it of interest in various fields, including drug development and synthetic organic chemistry.
Formula:C12H19NO4
InChI:InChI=1/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-9(13)8(6-7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/s2
InChI key:InChIKey=XRDRXGVDCVQVPV-NGWRPYAKNA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@]2([C@@H](C(O)=O)C[C@@]1(CC2)[H])[H]
Synonyms:
  • 7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester, (1R,2S,4S)-rel-
  • rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
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