tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate

C53H77N3O11 — CID 164989637

About tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate

tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate (PubChem CID 164989637) has the molecular formula C53H77N3O11 and a molecular weight of 932.21 g/mol. Its IUPAC name is tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate
• PubChem CID: 164989637
• Molecular Formula: C53H77N3O11
• Molecular Weight: 932.21 g/mol
• Exact Mass: 931.56
• IUPAC Name: tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CCCC2)CC1.COC(=O)C1(Oc2cc(C)ccc2C=O)CC1.COC(=O)C1(Oc2cc(C)ccc2CN2CCCC23CCN(C(=O)OC(C)(C)C)CC3)CC1
• InChI: InChI=1S/C26H38N2O5.C14H25NO2.C13H14O4/c1-19-7-8-20(21(17-19)32-26(10-11-26)22(29)31-5)18-28-14-6-9-25(28)12-15-27(16-13-25)23(30)33-24(2,3)4;1-13(2,3)17-12(16)15-10-8-14(9-11-15)6-4-5-7-14;1-9-3-4-10(8-14)11(7-9)17-13(5-6-13)12(15)16-2/h7-8,17H,6,9-16,18H2,1-5H3;4-11H2,1-3H3;3-4,7-8H,5-6H2,1-2H3
• InChIKey: GRBGVLDFUBIBHJ-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 150.45 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.21
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate?

The IUPAC name of tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate (CID 164989637) is tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate.

What is the SMILES notation for tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate?

The canonical SMILES for tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCC2)CC1.COC(=O)C1(Oc2cc(C)ccc2C=O)CC1.COC(=O)C1(Oc2cc(C)ccc2CN2CCCC23CCN(C(=O)OC(C)(C)C)CC3)CC1.

What is the InChIKey of tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate?

The InChIKey is GRBGVLDFUBIBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5.C14H25NO2.C13H14O4/c1-19-7-8-20(21(17-19)32-26(10-11-26)22(29)31-5)18-28-14-6-9-25(28)12-15-27(16-13-25)23(30)33-24(2,3)4;1-13(2,3)17-12(16)15-10-8-14(9-11-15)6-4-5-7-14;1-9-3-4-10(8-14)11(7-9)17-13(5-6-13)12(15)16-2/h7-8,17H,6,9-16,18H2,1-5H3;4-11H2,1-3H3;3-4,7-8H,5-6H2,1-2H3.

What are the key properties of tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate?

tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate has a molecular weight of 932.21 g/mol, XLogP of 9.91, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-[[2-(1-methoxycarbonylcyclopropyl)oxy-4-methylphenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;methyl 1-(2-formyl-5-methylphenoxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 164989637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).