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CAS 1523541-80-1

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

Description:
2-Azabicyclo[3.1.0]hexane-3-carboxylic acid, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1) is a bicyclic compound characterized by its unique azabicyclic structure, which includes a nitrogen atom within a six-membered ring. This compound features a carboxylic acid functional group, contributing to its acidic properties, and is further modified by the presence of a trifluoroacetate moiety, which enhances its lipophilicity and may influence its biological activity. The stereochemistry indicated by the (1S,3S,5S) configuration suggests specific spatial arrangements of substituents around the chiral centers, which can significantly affect the compound's reactivity and interactions with biological targets. The trifluoroacetate group is known for its electron-withdrawing properties, which can stabilize certain reactive intermediates. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug design. Its unique structural features and functional groups suggest potential applications in various fields, including pharmaceuticals and agrochemicals.
Formula:C6H9NO2·C2HF3O2
InChI:InChI=1S/C6H9NO2.C2HF3O2/c8-6(9)5-2-3-1-4(3)7-5;3-2(4,5)1(6)7/h3-5,7H,1-2H2,(H,8,9);(H,6,7)/t3-,4-,5-;/m0./s1
InChI key:InChIKey=NVLRTFUNSNDKGV-SHLRHQAISA-N
SMILES:C(O)(=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-carboxylic acid, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1)
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