tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

C103H136N26O29S — CID 162134480

About tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid (PubChem CID 162134480) has the molecular formula C103H136N26O29S and a molecular weight of 2234.44 g/mol. Its IUPAC name is tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
• PubChem CID: 162134480
• Molecular Formula: C103H136N26O29S
• Molecular Weight: 2234.44 g/mol
• Exact Mass: 2232.97
• IUPAC Name: tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
• SMILES: C1CCOC1.CC(=O)CNC(=O)C1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.CC(C)(C)OC(=O)NN.CNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3O)o1.Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
• InChI: InChI=1S/C17H21N3O4.C16H18N4O3.C15H19N3O3.C14H18N4O3.C14H16N2O4.C9H12N4O6S.C9H12N4O3.C5H12N2O2.C4H8O/c1-12(21)9-18-16(22)15-8-7-14-10-19(15)17(23)20(14)24-11-13-5-3-2-4-6-13;1-11-17-18-15(23-11)14-8-7-13-9-19(14)16(21)20(13)22-10-12-5-3-2-4-6-12;1-16-14(19)13-8-7-12-9-17(13)15(20)18(12)21-10-11-5-3-2-4-6-11;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;1-5-10-11-8(18-5)7-3-2-6-4-12(7)9(14)13(6)19-20(15,16)17;1-5-10-11-8(16-5)7-3-2-6-4-12(7)9(14)13(6)15;1-5(2,3)9-4(8)7-6;1-2-4-5-3-1/h2-6,14-15H,7-11H2,1H3,(H,18,22);2-6,13-14H,7-10H2,1H3;2-6,12-13H,7-10H2,1H3,(H,16,19);1-5,11-12H,6-9,15H2,(H,16,19);1-5,11-12H,6-9H2,(H,17,18);6-7H,2-4H2,1H3,(H,15,16,17);6-7,15H,2-4H2,1H3;6H2,1-3H3,(H,7,8);1-4H2/t14-,15?;13-,14+;12-,13+;2*11-,12+;2*6-,7+;;/m1111111../s1
• InChIKey: ZJBZCDAAZFGFQF-YVVNFQHRSA-N
• XLogP: 8.47
• TPSA: 652.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.44
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid?

The IUPAC name of tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid (CID 162134480) is tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid.

What is the SMILES notation for tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid?

The canonical SMILES for tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid is C1CCOC1.CC(=O)CNC(=O)C1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.CC(C)(C)OC(=O)NN.CNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3O)o1.Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)o1.Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)o1.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.

What is the InChIKey of tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid?

The InChIKey is ZJBZCDAAZFGFQF-YVVNFQHRSA-N. The full InChI is InChI=1S/C17H21N3O4.C16H18N4O3.C15H19N3O3.C14H18N4O3.C14H16N2O4.C9H12N4O6S.C9H12N4O3.C5H12N2O2.C4H8O/c1-12(21)9-18-16(22)15-8-7-14-10-19(15)17(23)20(14)24-11-13-5-3-2-4-6-13;1-11-17-18-15(23-11)14-8-7-13-9-19(14)16(21)20(13)22-10-12-5-3-2-4-6-12;1-16-14(19)13-8-7-12-9-17(13)15(20)18(12)21-10-11-5-3-2-4-6-11;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;1-5-10-11-8(18-5)7-3-2-6-4-12(7)9(14)13(6)19-20(15,16)17;1-5-10-11-8(16-5)7-3-2-6-4-12(7)9(14)13(6)15;1-5(2,3)9-4(8)7-6;1-2-4-5-3-1/h2-6,14-15H,7-11H2,1H3,(H,18,22);2-6,13-14H,7-10H2,1H3;2-6,12-13H,7-10H2,1H3,(H,16,19);1-5,11-12H,6-9,15H2,(H,16,19);1-5,11-12H,6-9H2,(H,17,18);6-7H,2-4H2,1H3,(H,15,16,17);6-7,15H,2-4H2,1H3;6H2,1-3H3,(H,7,8);1-4H2/t14-,15?;13-,14+;12-,13+;2*11-,12+;2*6-,7+;;/m1111111../s1.

What are the key properties of tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid?

tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid has a molecular weight of 2234.44 g/mol, XLogP of 8.47, 26 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-aminocarbamate;(2S,5R)-6-hydroxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;[(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;(2S,5R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-methyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;oxolane;(5R)-7-oxo-N-(2-oxopropyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid is sourced from PubChem (CID 162134480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).