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CAS 361440-69-9

:

2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1)

Description:
2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1) is a bicyclic compound characterized by its unique azabicyclic structure, which incorporates a nitrogen atom into a six-membered ring. This compound features a carboxamide functional group, contributing to its potential as a bioactive molecule. The presence of the trifluoroacetate moiety enhances its solubility and stability, making it suitable for various applications in medicinal chemistry and drug design. The stereochemistry indicated by (1S,3S,5S) suggests specific spatial arrangements of its substituents, which can significantly influence its biological activity and interaction with target proteins. Additionally, the trifluoromethyl group is known for its electron-withdrawing properties, which can affect the compound's reactivity and pharmacokinetics. Overall, this compound exemplifies the complexity and diversity of bicyclic amides, with potential implications in pharmaceutical research and development.
Formula:C6H10N2O·C2HF3O2
InChI:InChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-2-3-1-4(3)8-5;3-2(4,5)1(6)7/h3-5,8H,1-2H2,(H2,7,9);(H,6,7)/t3-,4-,5-;/m0./s1
InChI key:InChIKey=ANTLFTRMIBAQHA-SHLRHQAISA-N
SMILES:C(N)(=O)[C@@H]1C[C@]2([C@](C2)(N1)[H])[H].C(C(O)=O)(F)(F)F
Synonyms:
  • 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1)
  • Saxagliptin N-3
  • 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, mono(trifluoroacetate)
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