potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one

C152H211FKN47O43S4 — CID 158951743

IUPACpotassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
SMILESC=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3O)o1.C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.C=C(C)NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1.CC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.C[C@H](CN)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.NC(N)=NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.NC(N)=NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.[2H]CF.[H-].[K+]
InChIInChI=1S/C23H29N5O3.C21H26N4O3.C20H25N5O3.C16H23N5O6S.C16H23N5O3.C15H21N5O7S.C14H22N4O4.2C13H19N7O7S.CH3F.K.H/c1-15(2)24-12-16(3)20-25-26-21(31-20)18-11-23(9-10-23)19-13-27(18)22(29)28(19)30-14-17-7-5-4-6-8-17;1-3-14(2)18-22-23-19(28-18)16-11-21(9-10-21)17-12-24(16)20(26)25(17)27-13-15-7-5-4-6-8-15;1-13(10-21)17-22-23-18(28-17)15-9-20(7-8-20)16-11-24(15)19(26)25(16)27-12-14-5-3-2-4-6-14;1-9(2)17-7-10(3)13-18-19-14(26-13)11-6-16(4-5-16)12-8-20(11)15(22)21(12)27-28(23,24)25;1-9(2)17-7-10(3)13-18-19-14(24-13)11-6-16(4-5-16)12-8-20(11)15(22)21(12)23;1-8(2)16-6-10(21)13-18-17-12(26-13)9-5-15(3-4-15)11-7-19(9)14(22)20(11)27-28(23,24)25;1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6;2*14-11(15)16-4-7(21)10-18-17-9(26-10)6-3-13(1-2-13)8-5-19(6)12(22)20(8)27-28(23,24)25;1-2;;/h4-8,16,18-19,24H,1,9-14H2,2-3H3;4-8,14,16-17H,3,9-13H2,1-2H3;2-6,13,15-16H,7-12,21H2,1H3;10-12,17H,1,4-8H2,2-3H3,(H,23,24,25);10-12,17,23H,1,4-8H2,2-3H3;9-11,16,21H,1,3-7H2,2H3,(H,23,24,25);7-9H,1-6H3,(H,16,17,19,20);2*6-8,21H,1-5H2,(H4,14,15,16)(H,23,24,25);1H3;;/q;;;;;;;;;;+1;-1/t16-,18+,19+;14-,16+,17+;13-,15+,16+;2*10-,11+,12+;9-,10+,11-;;2*6-,7+,8-;;;/m111110.00.../s1/i;;;;;;;;;1D;;
InChIKeyWRZJTNCMGDIYRU-PYHJBIFHSA-N
MW3572.02 g/mol
LogP11.20
Rot. Bonds51

About potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one

potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one (PubChem CID 158951743) has the molecular formula C152H211FKN47O43S4 and a molecular weight of 3572.02 g/mol. Its IUPAC name is potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one.

Molecular Properties

Compound Namepotassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
PubChem CID158951743
Molecular FormulaC152H211FKN47O43S4
Molecular Weight3572.02 g/mol
Exact Mass3569.43
IUPAC Namepotassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
SMILESC=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3O)o1.C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.C=C(C)NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1.CC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.C[C@H](CN)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.NC(N)=NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.NC(N)=NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.[2H]CF.[H-].[K+]
InChIInChI=1S/C23H29N5O3.C21H26N4O3.C20H25N5O3.C16H23N5O6S.C16H23N5O3.C15H21N5O7S.C14H22N4O4.2C13H19N7O7S.CH3F.K.H/c1-15(2)24-12-16(3)20-25-26-21(31-20)18-11-23(9-10-23)19-13-27(18)22(29)28(19)30-14-17-7-5-4-6-8-17;1-3-14(2)18-22-23-19(28-18)16-11-21(9-10-21)17-12-24(16)20(26)25(17)27-13-15-7-5-4-6-8-15;1-13(10-21)17-22-23-18(28-17)15-9-20(7-8-20)16-11-24(15)19(26)25(16)27-12-14-5-3-2-4-6-14;1-9(2)17-7-10(3)13-18-19-14(26-13)11-6-16(4-5-16)12-8-20(11)15(22)21(12)27-28(23,24)25;1-9(2)17-7-10(3)13-18-19-14(24-13)11-6-16(4-5-16)12-8-20(11)15(22)21(12)23;1-8(2)16-6-10(21)13-18-17-12(26-13)9-5-15(3-4-15)11-7-19(9)14(22)20(11)27-28(23,24)25;1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6;2*14-11(15)16-4-7(21)10-18-17-9(26-10)6-3-13(1-2-13)8-5-19(6)12(22)20(8)27-28(23,24)25;1-2;;/h4-8,16,18-19,24H,1,9-14H2,2-3H3;4-8,14,16-17H,3,9-13H2,1-2H3;2-6,13,15-16H,7-12,21H2,1H3;10-12,17H,1,4-8H2,2-3H3,(H,23,24,25);10-12,17,23H,1,4-8H2,2-3H3;9-11,16,21H,1,3-7H2,2H3,(H,23,24,25);7-9H,1-6H3,(H,16,17,19,20);2*6-8,21H,1-5H2,(H4,14,15,16)(H,23,24,25);1H3;;/q;;;;;;;;;;+1;-1/t16-,18+,19+;14-,16+,17+;13-,15+,16+;2*10-,11+,12+;9-,10+,11-;;2*6-,7+,8-;;;/m111110.00.../s1/i;;;;;;;;;1D;;
InChIKeyWRZJTNCMGDIYRU-PYHJBIFHSA-N
XLogP11.20
TPSA1160.52 Ų
H-Bond Donors18
H-Bond Acceptors64
Rotatable Bonds51
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003572.02
LogP ≤ 511.20
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1064

Analyze potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one with MolForge

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What is the IUPAC name of potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
The IUPAC name of potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one (CID 158951743) is potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one.
What is the SMILES notation for potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
The canonical SMILES for potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one is C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3O)o1.C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.C=C(C)NC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.C=C(C)NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1.CC[C@@H](C)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.C[C@H](CN)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.NC(N)=NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.NC(N)=NC[C@@H](O)c1nnc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.[2H]CF.[H-].[K+].
What is the InChIKey of potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
The InChIKey is WRZJTNCMGDIYRU-PYHJBIFHSA-N. The full InChI is InChI=1S/C23H29N5O3.C21H26N4O3.C20H25N5O3.C16H23N5O6S.C16H23N5O3.C15H21N5O7S.C14H22N4O4.2C13H19N7O7S.CH3F.K.H/c1-15(2)24-12-16(3)20-25-26-21(31-20)18-11-23(9-10-23)19-13-27(18)22(29)28(19)30-14-17-7-5-4-6-8-17;1-3-14(2)18-22-23-19(28-18)16-11-21(9-10-21)17-12-24(16)20(26)25(17)27-13-15-7-5-4-6-8-15;1-13(10-21)17-22-23-18(28-17)15-9-20(7-8-20)16-11-24(15)19(26)25(16)27-12-14-5-3-2-4-6-14;1-9(2)17-7-10(3)13-18-19-14(26-13)11-6-16(4-5-16)12-8-20(11)15(22)21(12)27-28(23,24)25;1-9(2)17-7-10(3)13-18-19-14(24-13)11-6-16(4-5-16)12-8-20(11)15(22)21(12)23;1-8(2)16-6-10(21)13-18-17-12(26-13)9-5-15(3-4-15)11-7-19(9)14(22)20(11)27-28(23,24)25;1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6;2*14-11(15)16-4-7(21)10-18-17-9(26-10)6-3-13(1-2-13)8-5-19(6)12(22)20(8)27-28(23,24)25;1-2;;/h4-8,16,18-19,24H,1,9-14H2,2-3H3;4-8,14,16-17H,3,9-13H2,1-2H3;2-6,13,15-16H,7-12,21H2,1H3;10-12,17H,1,4-8H2,2-3H3,(H,23,24,25);10-12,17,23H,1,4-8H2,2-3H3;9-11,16,21H,1,3-7H2,2H3,(H,23,24,25);7-9H,1-6H3,(H,16,17,19,20);2*6-8,21H,1-5H2,(H4,14,15,16)(H,23,24,25);1H3;;/q;;;;;;;;;;+1;-1/t16-,18+,19+;14-,16+,17+;13-,15+,16+;2*10-,11+,12+;9-,10+,11-;;2*6-,7+,8-;;;/m111110.00.../s1/i;;;;;;;;;1D;;.
What are the key properties of potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one?
potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one has a molecular weight of 3572.02 g/mol, XLogP of 11.20, 51 rotatable bonds, 18 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S,5R)-2-[5-[(2R)-1-aminopropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;(2S,5R)-2-[5-[(2R)-butan-2-yl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate;deuterio(fluoro)methane;bis([(2S,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate);hydride;[(2S,5R)-2-[5-[(1R)-1-hydroxy-2-(prop-1-en-2-ylamino)ethyl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-hydroxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one;[(2S,5R)-7-oxo-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2S,5R)-6-phenylmethoxy-2-[5-[(2R)-1-(prop-1-en-2-ylamino)propan-2-yl]-1,3,4-oxadiazol-2-yl]spiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one is sourced from PubChem (CID 158951743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).