potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide

C145H154F6KN15O31 — CID 160746245

About potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide

potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide (PubChem CID 160746245) has the molecular formula C145H154F6KN15O31 and a molecular weight of 2755.99 g/mol. Its IUPAC name is potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide.

Molecular Properties

• Compound Name: potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide
• PubChem CID: 160746245
• Molecular Formula: C145H154F6KN15O31
• Molecular Weight: 2755.99 g/mol
• Exact Mass: 2754.05
• IUPAC Name: potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide
• SMILES: C.C.CC(C)(C)OC(=O)N1C[C@H]2CC[C@]1(CN)C2.CCOC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.CCOC(=O)c1coc(C(C)=O)c(OCc2ccccc2)c1=O.O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.O=C(NCc1ccc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.O=C(O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.[K+].[OH-]
• InChI: InChI=1S/C28H25F2N3O4.C23H24N2O5.2C21H19F2N3O4.C21H20N2O5.C17H16O6.C12H22N2O2.2CH4.K.H2O/c29-20-7-6-19(22(30)10-20)12-31-26(35)21-14-32-16-28-9-8-18(11-28)13-33(28)27(36)23(32)25(24(21)34)37-15-17-4-2-1-3-5-17;1-2-29-22(28)17-12-24-14-23-9-8-16(10-23)11-25(23)21(27)18(24)20(19(17)26)30-13-15-6-4-3-5-7-15;2*22-13-2-1-12(15(23)5-13)7-24-19(29)14-9-25-10-21-4-3-11(6-21)8-26(21)20(30)16(25)18(28)17(14)27;24-17-15(20(26)27)10-22-12-21-7-6-14(8-21)9-23(21)19(25)16(22)18(17)28-11-13-4-2-1-3-5-13;1-3-21-17(20)13-10-23-15(11(2)18)16(14(13)19)22-9-12-7-5-4-6-8-12;1-11(2,3)16-10(15)14-7-9-4-5-12(14,6-9)8-13;;;;/h1-7,10,14,18H,8-9,11-13,15-16H2,(H,31,35);3-7,12,16H,2,8-11,13-14H2,1H3;2*1-2,5,9,11,28H,3-4,6-8,10H2,(H,24,29);1-5,10,14H,6-9,11-12H2,(H,26,27);4-8,10H,3,9H2,1-2H3;9H,4-8,13H2,1-3H3;2*1H4;;1H2/q;;;;;;;;;+1;/p-1/t18-,28+;16-,23+;2*11-,21+;14-,21+;;9-,12+;;;;/m00000.0..../s1
• InChIKey: RWFOGRJNMDOPDL-DDRKJVBCSA-M
• XLogP: 14.36
• TPSA: 598.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2755.99
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide?

The IUPAC name of potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide (CID 160746245) is potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide.

What is the SMILES notation for potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide?

The canonical SMILES for potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide is C.C.CC(C)(C)OC(=O)N1C[C@H]2CC[C@]1(CN)C2.CCOC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.CCOC(=O)c1coc(C(C)=O)c(OCc2ccccc2)c1=O.O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.O=C(NCc1ccc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.O=C(O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]3CC[C@@]1(C3)C2.[K+].[OH-].

What is the InChIKey of potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide?

The InChIKey is RWFOGRJNMDOPDL-DDRKJVBCSA-M. The full InChI is InChI=1S/C28H25F2N3O4.C23H24N2O5.2C21H19F2N3O4.C21H20N2O5.C17H16O6.C12H22N2O2.2CH4.K.H2O/c29-20-7-6-19(22(30)10-20)12-31-26(35)21-14-32-16-28-9-8-18(11-28)13-33(28)27(36)23(32)25(24(21)34)37-15-17-4-2-1-3-5-17;1-2-29-22(28)17-12-24-14-23-9-8-16(10-23)11-25(23)21(27)18(24)20(19(17)26)30-13-15-6-4-3-5-7-15;2*22-13-2-1-12(15(23)5-13)7-24-19(29)14-9-25-10-21-4-3-11(6-21)8-26(21)20(30)16(25)18(28)17(14)27;24-17-15(20(26)27)10-22-12-21-7-6-14(8-21)9-23(21)19(25)16(22)18(17)28-11-13-4-2-1-3-5-13;1-3-21-17(20)13-10-23-15(11(2)18)16(14(13)19)22-9-12-7-5-4-6-8-12;1-11(2,3)16-10(15)14-7-9-4-5-12(14,6-9)8-13;;;;/h1-7,10,14,18H,8-9,11-13,15-16H2,(H,31,35);3-7,12,16H,2,8-11,13-14H2,1H3;2*1-2,5,9,11,28H,3-4,6-8,10H2,(H,24,29);1-5,10,14H,6-9,11-12H2,(H,26,27);4-8,10H,3,9H2,1-2H3;9H,4-8,13H2,1-3H3;2*1H4;;1H2/q;;;;;;;;;+1;/p-1/t18-,28+;16-,23+;2*11-,21+;14-,21+;;9-,12+;;;;/m00000.0..../s1.

What are the key properties of potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide?

potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide has a molecular weight of 2755.99 g/mol, XLogP of 14.36, 28 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl (1R,4S)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;(1R,12S)-N-[(2,4-difluorophenyl)methyl]-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide;bis((1R,12S)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide);(1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylic acid;ethyl 6-acetyl-4-oxo-5-phenylmethoxypyran-3-carboxylate;ethyl (1R,12S)-6,9-dioxo-7-phenylmethoxy-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxylate;methane;hydroxide is sourced from PubChem (CID 160746245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).