[(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate

C67H119BrN16O22S — CID 158762791

About [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate

[(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate (PubChem CID 158762791) has the molecular formula C67H119BrN16O22S and a molecular weight of 1612.75 g/mol. Its IUPAC name is [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate.

Molecular Properties

• Compound Name: [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate
• PubChem CID: 158762791
• Molecular Formula: C67H119BrN16O22S
• Molecular Weight: 1612.75 g/mol
• Exact Mass: 1610.76
• IUPAC Name: [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate
• SMILES: C.CC(C)(C)OC(=O)N(CC(=O)NN)C1CCC1.CCOC(=O)CBr.CCOC(=O)CN(C(=O)OC(C)(C)C)C1CCC1.CCOC(=O)CNC1CCC1.NC1CCC1.NN.O.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(CNC3CNC3)o2)N1OS(=O)(=O)O
• InChI: InChI=1S/C14H16N2O4.C13H23NO4.C12H18N6O6S.C11H21N3O3.C8H15NO2.C4H7BrO2.C4H9N.CH4.H4N2.H2O/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;1-5-17-11(15)9-14(10-7-6-8-10)12(16)18-13(2,3)4;19-12-17-6-8(18(12)24-25(20,21)22)1-2-9(17)11-16-15-10(23-11)5-14-7-3-13-4-7;1-11(2,3)17-10(16)14(7-9(15)13-12)8-5-4-6-8;1-2-11-8(10)6-9-7-4-3-5-7;1-2-7-4(6)3-5;5-4-2-1-3-4;;1-2;/h1-5,11-12H,6-9H2,(H,17,18);10H,5-9H2,1-4H3;7-9,13-14H,1-6H2,(H,20,21,22);8H,4-7,12H2,1-3H3,(H,13,15);7,9H,2-6H2,1H3;2-3H2,1H3;4H,1-3,5H2;1H4;1-2H2;1H2/t11-,12+;;8-,9+;;;;;;;/m1.1......./s1
• InChIKey: PHVRZMRWULSUBJ-VYOVTYQPSA-N
• XLogP: 4.15
• TPSA: 534.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.75
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?

The IUPAC name of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate (CID 158762791) is [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate.

What is the SMILES notation for [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?

The canonical SMILES for [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate is C.CC(C)(C)OC(=O)N(CC(=O)NN)C1CCC1.CCOC(=O)CBr.CCOC(=O)CN(C(=O)OC(C)(C)C)C1CCC1.CCOC(=O)CNC1CCC1.NC1CCC1.NN.O.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(CNC3CNC3)o2)N1OS(=O)(=O)O.

What is the InChIKey of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?

The InChIKey is PHVRZMRWULSUBJ-VYOVTYQPSA-N. The full InChI is InChI=1S/C14H16N2O4.C13H23NO4.C12H18N6O6S.C11H21N3O3.C8H15NO2.C4H7BrO2.C4H9N.CH4.H4N2.H2O/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;1-5-17-11(15)9-14(10-7-6-8-10)12(16)18-13(2,3)4;19-12-17-6-8(18(12)24-25(20,21)22)1-2-9(17)11-16-15-10(23-11)5-14-7-3-13-4-7;1-11(2,3)17-10(16)14(7-9(15)13-12)8-5-4-6-8;1-2-11-8(10)6-9-7-4-3-5-7;1-2-7-4(6)3-5;5-4-2-1-3-4;;1-2;/h1-5,11-12H,6-9H2,(H,17,18);10H,5-9H2,1-4H3;7-9,13-14H,1-6H2,(H,20,21,22);8H,4-7,12H2,1-3H3,(H,13,15);7,9H,2-6H2,1H3;2-3H2,1H3;4H,1-3,5H2;1H4;1-2H2;1H2/t11-,12+;;8-,9+;;;;;;;/m1.1......./s1.

What are the key properties of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?

[(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate has a molecular weight of 1612.75 g/mol, XLogP of 4.15, 23 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-(2-hydrazinyl-2-oxoethyl)carbamate;cyclobutanamine;ethyl 2-bromoacetate;ethyl 2-(cyclobutylamino)acetate;ethyl 2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;methane;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate is sourced from PubChem (CID 158762791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).