tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride

C105H152Cl2N24O25S — CID 172948065

About tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride

tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride (PubChem CID 172948065) has the molecular formula C105H152Cl2N24O25S and a molecular weight of 2253.49 g/mol. Its IUPAC name is tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride
• PubChem CID: 172948065
• Molecular Formula: C105H152Cl2N24O25S
• Molecular Weight: 2253.49 g/mol
• Exact Mass: 2251.05
• IUPAC Name: tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride
• SMILES: C#CCCN(C)C(C)=NC(=O)OC(C)(C)C.C#CCCNC.CN(CCc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3O)no1)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CN(CCc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)no1)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.Cl.O=C1N2C[C@H](N1OCc1ccccc1)C1(CC1)C[C@H]2/C(Cl)=N/O.[H]/N=C(\N)N(C)CCc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)no1
• InChI: InChI=1S/C32H44N6O7.C25H38N6O7.C16H18ClN3O3.C15H22N6O6S.C12H20N2O2.C5H9N.ClH/c1-30(2,3)43-27(39)33-26(34-28(40)44-31(4,5)6)36(7)16-13-22-17-23(35-45-22)24-18-32(14-15-32)25-19-37(24)29(41)38(25)42-20-21-11-9-8-10-12-21;1-23(2,3)36-20(32)26-19(27-21(33)37-24(4,5)6)29(7)11-8-15-12-16(28-38-15)17-13-25(9-10-25)18-14-30(17)22(34)31(18)35;17-14(18-22)12-8-16(6-7-16)13-9-19(12)15(21)20(13)23-10-11-4-2-1-3-5-11;1-19(13(16)17)5-2-9-6-10(18-26-9)11-7-15(3-4-15)12-8-20(11)14(22)21(12)27-28(23,24)25;1-7-8-9-14(6)10(2)13-11(15)16-12(3,4)5;1-3-4-5-6-2;/h8-12,17,24-25H,13-16,18-20H2,1-7H3,(H,33,34,39,40);12,17-18,35H,8-11,13-14H2,1-7H3,(H,26,27,32,33);1-5,12-13,22H,6-10H2;6,11-12H,2-5,7-8H2,1H3,(H3,16,17)(H,23,24,25);1H,8-9H2,2-6H3;1,6H,4-5H2,2H3;1H/b;;18-14-;;;;/t24-,25-;17-,18-;12-,13-;11-,12-;;;/m0000.../s1
• InChIKey: OQQQWOANRUTWQI-MDTRSRNRSA-N
• XLogP: 14.97
• TPSA: 574.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.49
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride?

The IUPAC name of tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride (CID 172948065) is tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride.

What is the SMILES notation for tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride?

The canonical SMILES for tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride is C#CCCN(C)C(C)=NC(=O)OC(C)(C)C.C#CCCNC.CN(CCc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3O)no1)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CN(CCc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OCc2ccccc2)no1)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.Cl.O=C1N2C[C@H](N1OCc1ccccc1)C1(CC1)C[C@H]2/C(Cl)=N/O.[H]/N=C(\N)N(C)CCc1cc([C@@H]2CC3(CC3)[C@@H]3CN2C(=O)N3OS(=O)(=O)O)no1.

What is the InChIKey of tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride?

The InChIKey is OQQQWOANRUTWQI-MDTRSRNRSA-N. The full InChI is InChI=1S/C32H44N6O7.C25H38N6O7.C16H18ClN3O3.C15H22N6O6S.C12H20N2O2.C5H9N.ClH/c1-30(2,3)43-27(39)33-26(34-28(40)44-31(4,5)6)36(7)16-13-22-17-23(35-45-22)24-18-32(14-15-32)25-19-37(24)29(41)38(25)42-20-21-11-9-8-10-12-21;1-23(2,3)36-20(32)26-19(27-21(33)37-24(4,5)6)29(7)11-8-15-12-16(28-38-15)17-13-25(9-10-25)18-14-30(17)22(34)31(18)35;17-14(18-22)12-8-16(6-7-16)13-9-19(12)15(21)20(13)23-10-11-4-2-1-3-5-11;1-19(13(16)17)5-2-9-6-10(18-26-9)11-7-15(3-4-15)12-8-20(11)14(22)21(12)27-28(23,24)25;1-7-8-9-14(6)10(2)13-11(15)16-12(3,4)5;1-3-4-5-6-2;/h8-12,17,24-25H,13-16,18-20H2,1-7H3,(H,33,34,39,40);12,17-18,35H,8-11,13-14H2,1-7H3,(H,26,27,32,33);1-5,12-13,22H,6-10H2;6,11-12H,2-5,7-8H2,1H3,(H3,16,17)(H,23,24,25);1H,8-9H2,2-6H3;1,6H,4-5H2,2H3;1H/b;;18-14-;;;;/t24-,25-;17-,18-;12-,13-;11-,12-;;;/m0000.../s1.

What are the key properties of tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride?

tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride has a molecular weight of 2253.49 g/mol, XLogP of 14.97, 25 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate;tert-butyl N-[[2-[3-[(2S,5R)-6-hydroxy-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl-methylamino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-yl]-1,2-oxazol-5-yl]ethyl]carbamimidoyl]carbamate;[(2S,5R)-2-[5-[2-[carbamimidoyl(methyl)amino]ethyl]-1,2-oxazol-3-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-2-carboximidoyl chloride;N-methylbut-3-yn-1-amine;hydrochloride is sourced from PubChem (CID 172948065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).