bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate

C125H189N25O33S2 — CID 158977719

About bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate

bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate (PubChem CID 158977719) has the molecular formula C125H189N25O33S2 and a molecular weight of 2634.16 g/mol. Its IUPAC name is bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate.

Molecular Properties

• Compound Name: bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate
• PubChem CID: 158977719
• Molecular Formula: C125H189N25O33S2
• Molecular Weight: 2634.16 g/mol
• Exact Mass: 2632.33
• IUPAC Name: bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate
• SMILES: C=CC(=O)OCC.CC1CC(=O)C1.CC1CC(CC(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)C1.CC1CC(CC(=O)NN)C1.CC1CC(CC(=O)NN)C1.CC1CC(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)o2)C1.CCOC(=O)C=C1CC(C)C1.CCOC(=O)CC1CC(C)C1.NC1CC(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)C1.NC1CC(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)C1.NN.O.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
• InChI: InChI=1S/C22H29N3O4.C21H26N4O3.C14H16N2O4.2C13H19N5O6S.C9H16O2.C9H14O2.2C7H14N2O.C5H8O2.C5H8O.H4N2.H2O/c1-15-9-17(10-15)11-19(26)12-23-21(27)20-8-7-18-13-24(20)22(28)25(18)29-14-16-5-3-2-4-6-16;1-14-9-16(10-14)11-19-22-23-20(28-19)18-8-7-17-12-24(18)21(26)25(17)27-13-15-5-3-2-4-6-15;17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;2*14-8-3-7(4-8)5-11-15-16-12(23-11)10-2-1-9-6-17(10)13(19)18(9)24-25(20,21)22;2*1-3-11-9(10)6-8-4-7(2)5-8;2*1-5-2-6(3-5)4-7(10)9-8;1-3-5(6)7-4-2;1-4-2-5(6)3-4;1-2;/h2-6,15,17-18,20H,7-14H2,1H3,(H,23,27);2-6,14,16-18H,7-13H2,1H3;1-5,11-12H,6-9H2,(H,17,18);2*7-10H,1-6,14H2,(H,20,21,22);7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2*5-6H,2-4,8H2,1H3,(H,9,10);3H,1,4H2,2H3;4H,2-3H2,1H3;1-2H2;1H2/b;;;;;;8-6-;;;;;;/t15?,17?,18-,20+;14?,16?,17-,18+;11-,12+;2*7?,8?,9-,10+;;;;;;;;/m11111......../s1
• InChIKey: LIJHAFVVJUBWHR-BUFBBVPYSA-N
• XLogP: 12.19
• TPSA: 814.66 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 39
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.16
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate?

The IUPAC name of bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate (CID 158977719) is bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate.

What is the SMILES notation for bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate?

The canonical SMILES for bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate is C=CC(=O)OCC.CC1CC(=O)C1.CC1CC(CC(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)C1.CC1CC(CC(=O)NN)C1.CC1CC(CC(=O)NN)C1.CC1CC(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)o2)C1.CCOC(=O)C=C1CC(C)C1.CCOC(=O)CC1CC(C)C1.NC1CC(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)C1.NC1CC(Cc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)C1.NN.O.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.

What is the InChIKey of bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate?

The InChIKey is LIJHAFVVJUBWHR-BUFBBVPYSA-N. The full InChI is InChI=1S/C22H29N3O4.C21H26N4O3.C14H16N2O4.2C13H19N5O6S.C9H16O2.C9H14O2.2C7H14N2O.C5H8O2.C5H8O.H4N2.H2O/c1-15-9-17(10-15)11-19(26)12-23-21(27)20-8-7-18-13-24(20)22(28)25(18)29-14-16-5-3-2-4-6-16;1-14-9-16(10-14)11-19-22-23-20(28-19)18-8-7-17-12-24(18)21(26)25(17)27-13-15-5-3-2-4-6-15;17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;2*14-8-3-7(4-8)5-11-15-16-12(23-11)10-2-1-9-6-17(10)13(19)18(9)24-25(20,21)22;2*1-3-11-9(10)6-8-4-7(2)5-8;2*1-5-2-6(3-5)4-7(10)9-8;1-3-5(6)7-4-2;1-4-2-5(6)3-4;1-2;/h2-6,15,17-18,20H,7-14H2,1H3,(H,23,27);2-6,14,16-18H,7-13H2,1H3;1-5,11-12H,6-9H2,(H,17,18);2*7-10H,1-6,14H2,(H,20,21,22);7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2*5-6H,2-4,8H2,1H3,(H,9,10);3H,1,4H2,2H3;4H,2-3H2,1H3;1-2H2;1H2/b;;;;;;8-6-;;;;;;/t15?,17?,18-,20+;14?,16?,17-,18+;11-,12+;2*7?,8?,9-,10+;;;;;;;;/m11111......../s1.

What are the key properties of bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate?

bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate has a molecular weight of 2634.16 g/mol, XLogP of 12.19, 39 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis([(2S,5R)-2-[5-[(3-aminocyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);ethyl 2-(3-methylcyclobutyl)acetate;ethyl 2-(3-methylcyclobutylidene)acetate;ethyl prop-2-enoate;hydrazine;3-methylcyclobutan-1-one;bis(2-(3-methylcyclobutyl)acetohydrazide);(2S,5R)-2-[5-[(3-methylcyclobutyl)methyl]-1,3,4-oxadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-7-oxo-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-carboxylic acid;hydrate is sourced from PubChem (CID 158977719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).