| Identification | Back Directory | [Name]
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, methyl ester, (1R,2S,5S)- | [CAS]
2742706-71-2 | [Synonyms]
methyl (1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
(1R, 2S, 5S) - 3 - ((s) - 3,3-dimethyl-2 - (2,2,2-trifluoroacetamido) butyryl) - 6,6-dimethyl-3-azabicyclo [3.1.0] hexane-2-carboxylate
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, methyl ester, (1R,2S,5S)- | [Molecular Formula]
C17H25F3N2O4 | [MOL File]
2742706-71-2.mol | [Molecular Weight]
378.39 |
| Chemical Properties | Back Directory | [Boiling point ]
450.7±45.0 °C(Predicted) | [density ]
1.230±0.06 g/cm3(Predicted) | [pka]
10.26±0.46(Predicted) | [InChI]
InChI=1S/C17H25F3N2O4/c1-15(2,3)11(21-14(25)17(18,19)20)12(23)22-7-8-9(16(8,4)5)10(22)13(24)26-6/h8-11H,7H2,1-6H3,(H,21,25)/t8-,9-,10-,11+/m0/s1 | [InChIKey]
GJHCWCVNORDLJM-XWLWVQCSSA-N | [SMILES]
[C@@]12([H])[C@@]([H])(C1(C)C)CN(C(=O)[C@@H](NC(C(F)(F)F)=O)C(C)(C)C)[C@@H]2C(OC)=O |
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