2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
C107H146F6N23O28PS — CID 158786488
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.[2H]C(C)(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C#C)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C#Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C=O)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(N)C(=O)O.[2H]C([2H])([2H])C([2H])(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C27H35FN6O4.C27H31FN6O4.C19H17F4N5O5S.C9H17NO4.C9H15NO2.C8H15NO3.C5H9N2O4P.C3H7NO2/c2*1-6-37-25(35)20-16-30-34-13-11-23(32-24(20)34)33-12-7-8-22(33)19-14-18(28)15-29-21(19)10-9-17(2)31-26(36)38-27(3,4)5;1-2-32-18(29)13-10-25-28-7-5-15(26-16(13)28)27-6-3-4-14(27)12-8-11(20)9-24-17(12)33-34(30,31)19(21,22)23;1-6(7(11)13-5)10-8(12)14-9(2,3)4;1-6-7(2)10-8(11)12-9(3,4)5;1-6(5-10)9-7(11)12-8(2,3)4;1-4(8)5(7-6)12(9,10-2)11-3;1-2(4)3(5)6/h11,13-17,22H,6-10,12H2,1-5H3,(H,31,36);11,13-17,22H,6-8,12H2,1-5H3,(H,31,36);5,7-10,14H,2-4,6H2,1H3;6H,1-5H3,(H,10,12);1,7H,2-5H3,(H,10,11);5-6H,1-4H3,(H,9,11);1-3H3;2H,4H2,1H3,(H,5,6)/i17D;2D3,17D;;1D3,6D;2D3,7D;1D3,6D;;1D3,2D
InChIKeyIRTDTYFNWAJUPE-VOFDOVALSA-N
MW2400.64 g/mol
LogP15.50
Rot. Bonds34
About 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 158786488) has the molecular formula C107H146F6N23O28PS and a molecular weight of 2400.64 g/mol. Its IUPAC name is 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Molecular Properties
| Compound Name | 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
|---|---|
| PubChem CID | 158786488 |
| Molecular Formula | C107H146F6N23O28PS |
| Molecular Weight | 2400.64 g/mol |
| Exact Mass | 2399.14 |
| IUPAC Name | 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| SMILES | CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.[2H]C(C)(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C#C)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C#Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C=O)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(N)C(=O)O.[2H]C([2H])([2H])C([2H])(NC(=O)OC(C)(C)C)C(=O)OC |
| InChI | InChI=1S/C27H35FN6O4.C27H31FN6O4.C19H17F4N5O5S.C9H17NO4.C9H15NO2.C8H15NO3.C5H9N2O4P.C3H7NO2/c2*1-6-37-25(35)20-16-30-34-13-11-23(32-24(20)34)33-12-7-8-22(33)19-14-18(28)15-29-21(19)10-9-17(2)31-26(36)38-27(3,4)5;1-2-32-18(29)13-10-25-28-7-5-15(26-16(13)28)27-6-3-4-14(27)12-8-11(20)9-24-17(12)33-34(30,31)19(21,22)23;1-6(7(11)13-5)10-8(12)14-9(2,3)4;1-6-7(2)10-8(11)12-9(3,4)5;1-6(5-10)9-7(11)12-8(2,3)4;1-4(8)5(7-6)12(9,10-2)11-3;1-2(4)3(5)6/h11,13-17,22H,6-10,12H2,1-5H3,(H,31,36);11,13-17,22H,6-8,12H2,1-5H3,(H,31,36);5,7-10,14H,2-4,6H2,1H3;6H,1-5H3,(H,10,12);1,7H,2-5H3,(H,10,11);5-6H,1-4H3,(H,9,11);1-3H3;2H,4H2,1H3,(H,5,6)/i17D;2D3,17D;;1D3,6D;2D3,7D;1D3,6D;;1D3,2D |
| InChIKey | IRTDTYFNWAJUPE-VOFDOVALSA-N |
| XLogP | 15.50 |
| TPSA | 648.57 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 166 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2400.64 |
| LogP ≤ 5 | 15.50 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 43 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 158786488) is 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.[2H]C(C)(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C#C)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C#Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(C=O)NC(=O)OC(C)(C)C.[2H]C([2H])([2H])C([2H])(N)C(=O)O.[2H]C([2H])([2H])C([2H])(NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is IRTDTYFNWAJUPE-VOFDOVALSA-N. The full InChI is InChI=1S/C27H35FN6O4.C27H31FN6O4.C19H17F4N5O5S.C9H17NO4.C9H15NO2.C8H15NO3.C5H9N2O4P.C3H7NO2/c2*1-6-37-25(35)20-16-30-34-13-11-23(32-24(20)34)33-12-7-8-22(33)19-14-18(28)15-29-21(19)10-9-17(2)31-26(36)38-27(3,4)5;1-2-32-18(29)13-10-25-28-7-5-15(26-16(13)28)27-6-3-4-14(27)12-8-11(20)9-24-17(12)33-34(30,31)19(21,22)23;1-6(7(11)13-5)10-8(12)14-9(2,3)4;1-6-7(2)10-8(11)12-9(3,4)5;1-6(5-10)9-7(11)12-8(2,3)4;1-4(8)5(7-6)12(9,10-2)11-3;1-2(4)3(5)6/h11,13-17,22H,6-10,12H2,1-5H3,(H,31,36);11,13-17,22H,6-8,12H2,1-5H3,(H,31,36);5,7-10,14H,2-4,6H2,1H3;6H,1-5H3,(H,10,12);1,7H,2-5H3,(H,10,11);5-6H,1-4H3,(H,9,11);1-3H3;2H,4H2,1H3,(H,5,6)/i17D;2D3,17D;;1D3,6D;2D3,7D;1D3,6D;;1D3,2D.
What are the key properties of 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 2400.64 g/mol, XLogP of 15.50, 34 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3,3-tetradeuteriopropanoic acid;tert-butyl N-(1,1,1,2-tetradeuteriobut-3-yn-2-yl)carbamate;tert-butyl N-(1,1,1,2-tetradeuterio-3-oxopropan-2-yl)carbamate;1-diazo-1-dimethoxyphosphorylpropan-2-one;ethyl 5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-[3,4,4,4-tetradeuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ynyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 158786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158786488 — identifiers, structure, computed properties (public domain)
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