bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)

C99H125N11O22 — CID 157313610

About bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)

bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate) (PubChem CID 157313610) has the molecular formula C99H125N11O22 and a molecular weight of 1821.14 g/mol. Its IUPAC name is bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate).

Molecular Properties

• Compound Name: bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)
• PubChem CID: 157313610
• Molecular Formula: C99H125N11O22
• Molecular Weight: 1821.14 g/mol
• Exact Mass: 1819.90
• IUPAC Name: bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)
• SMILES: CC(C)C(C)C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O.CN1CC2(CCCN2C(=O)OCc2ccccc2)C1=O.COC(=O)NC(C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(C)O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C1CCC12CCCN2.O=C1CCC12CCCN2
• InChI: InChI=1S/C20H25N3O7.C20H26N2O4.C15H18N2O3.2C15H17NO3.2C7H11NO/c1-13(24)15(21-18(27)29-2)16(25)22-12-20(17(22)26)9-6-10-23(20)19(28)30-11-14-7-4-3-5-8-14;1-14(2)15(3)17(23)21-13-20(18(21)24)10-7-11-22(20)19(25)26-12-16-8-5-4-6-9-16;1-16-11-15(13(16)18)8-5-9-17(15)14(19)20-10-12-6-3-2-4-7-12;2*17-13-7-9-15(13)8-4-10-16(15)14(18)19-11-12-5-2-1-3-6-12;2*9-6-2-4-7(6)3-1-5-8-7/h3-5,7-8,13,15,24H,6,9-12H2,1-2H3,(H,21,27);4-6,8-9,14-15H,7,10-13H2,1-3H3;2-4,6-7H,5,8-11H2,1H3;2*1-3,5-6H,4,7-11H2;2*8H,1-5H2
• InChIKey: BDIFRJBQNSAIEY-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 393.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.14
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)?

The IUPAC name of bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate) (CID 157313610) is bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate).

What is the SMILES notation for bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)?

The canonical SMILES for bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate) is CC(C)C(C)C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O.CN1CC2(CCCN2C(=O)OCc2ccccc2)C1=O.COC(=O)NC(C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(C)O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C1CCC12CCCN2.O=C1CCC12CCCN2.

What is the InChIKey of bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)?

The InChIKey is BDIFRJBQNSAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7.C20H26N2O4.C15H18N2O3.2C15H17NO3.2C7H11NO/c1-13(24)15(21-18(27)29-2)16(25)22-12-20(17(22)26)9-6-10-23(20)19(28)30-11-14-7-4-3-5-8-14;1-14(2)15(3)17(23)21-13-20(18(21)24)10-7-11-22(20)19(25)26-12-16-8-5-4-6-9-16;1-16-11-15(13(16)18)8-5-9-17(15)14(19)20-10-12-6-3-2-4-7-12;2*17-13-7-9-15(13)8-4-10-16(15)14(18)19-11-12-5-2-1-3-6-12;2*9-6-2-4-7(6)3-1-5-8-7/h3-5,7-8,13,15,24H,6,9-12H2,1-2H3,(H,21,27);4-6,8-9,14-15H,7,10-13H2,1-3H3;2-4,6-7H,5,8-11H2,1H3;2*1-3,5-6H,4,7-11H2;2*8H,1-5H2.

What are the key properties of bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate)?

bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate) has a molecular weight of 1821.14 g/mol, XLogP of 11.06, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-azaspiro[3.4]octan-3-one);benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-[3-hydroxy-2-(methoxycarbonylamino)butanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;bis(benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate) is sourced from PubChem (CID 157313610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).