5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one

C91H123N15O18S — CID 159023452

About 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one

5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one (PubChem CID 159023452) has the molecular formula C91H123N15O18S and a molecular weight of 1747.14 g/mol. Its IUPAC name is 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one.

Molecular Properties

• Compound Name: 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one
• PubChem CID: 159023452
• Molecular Formula: C91H123N15O18S
• Molecular Weight: 1747.14 g/mol
• Exact Mass: 1745.89
• IUPAC Name: 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one
• SMILES: CC(=O)N1CCCC12CCC2=O.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1c1ccccc1.CS(=O)(=O)N1CCCC12CCC2=O.O=C1CCC12CCC=N2.O=C1CCC12CCC=N2.O=C1CCC12CCCN2O.O=C1CCC12CCCN2[O-].O=C1CCC12Cc1ccccc1N2.O=C1NCC12Cc1cccnc1N2.[H+]
• InChI: InChI=1S/C26H37N5O5.C11H11NO.C9H9N3O.C9H13NO2.C8H13NO3S.C7H11NO2.C7H10NO2.2C7H9NO/c1-15(2)19(27)24(35)31-21(17-9-5-4-6-10-17)26(25(31)36)12-8-14-30(26)22(33)18-11-7-13-29(18)23(34)20(28)16(3)32;13-10-5-6-11(10)7-8-3-1-2-4-9(8)12-11;13-8-9(5-11-8)4-6-2-1-3-10-7(6)12-9;1-7(11)10-6-2-4-9(10)5-3-8(9)12;1-13(11,12)9-6-2-4-8(9)5-3-7(8)10;2*9-6-2-4-7(6)3-1-5-8(7)10;2*9-6-2-4-7(6)3-1-5-8-7/h4-6,9-10,15-16,18-21,32H,7-8,11-14,27-28H2,1-3H3;1-4,12H,5-7H2;1-3H,4-5H2,(H,10,12)(H,11,13);2-6H2,1H3;2-6H2,1H3;10H,1-5H2;1-5H2;2*5H,1-4H2/q;;;;;;-1;;/p+1
• InChIKey: JTZLJBQZEZJDJD-UHFFFAOYSA-O
• XLogP: 5.96
• TPSA: 467.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 7
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1747.14
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one?

The IUPAC name of 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one (CID 159023452) is 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one.

What is the SMILES notation for 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one?

The canonical SMILES for 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one is CC(=O)N1CCCC12CCC2=O.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1c1ccccc1.CS(=O)(=O)N1CCCC12CCC2=O.O=C1CCC12CCC=N2.O=C1CCC12CCC=N2.O=C1CCC12CCCN2O.O=C1CCC12CCCN2[O-].O=C1CCC12Cc1ccccc1N2.O=C1NCC12Cc1cccnc1N2.[H+].

What is the InChIKey of 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one?

The InChIKey is JTZLJBQZEZJDJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H37N5O5.C11H11NO.C9H9N3O.C9H13NO2.C8H13NO3S.C7H11NO2.C7H10NO2.2C7H9NO/c1-15(2)19(27)24(35)31-21(17-9-5-4-6-10-17)26(25(31)36)12-8-14-30(26)22(33)18-11-7-13-29(18)23(34)20(28)16(3)32;13-10-5-6-11(10)7-8-3-1-2-4-9(8)12-11;13-8-9(5-11-8)4-6-2-1-3-10-7(6)12-9;1-7(11)10-6-2-4-9(10)5-3-8(9)12;1-13(11,12)9-6-2-4-8(9)5-3-7(8)10;2*9-6-2-4-7(6)3-1-5-8(7)10;2*9-6-2-4-7(6)3-1-5-8-7/h4-6,9-10,15-16,18-21,32H,7-8,11-14,27-28H2,1-3H3;1-4,12H,5-7H2;1-3H,4-5H2,(H,10,12)(H,11,13);2-6H2,1H3;2-6H2,1H3;10H,1-5H2;1-5H2;2*5H,1-4H2/q;;;;;;-1;;/p+1.

What are the key properties of 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one?

5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one has a molecular weight of 1747.14 g/mol, XLogP of 5.96, 7 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-5-azaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;bis(5-azaspiro[3.4]oct-5-en-3-one);hydron;5-hydroxy-5-azaspiro[3.4]octan-3-one;5-methylsulfonyl-5-azaspiro[3.4]octan-3-one;5-oxido-5-azaspiro[3.4]octan-3-one;spiro[1,3-dihydroindole-2,2'-cyclobutane]-1'-one;spiro[1,3-dihydropyrrolo[2,3-b]pyridine-2,3'-azetidine]-2'-one is sourced from PubChem (CID 159023452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).