N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate

C28H47N5O6 — CID 167481717

About N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate (PubChem CID 167481717) has the molecular formula C28H47N5O6 and a molecular weight of 549.71 g/mol. Its IUPAC name is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate.

Molecular Properties

• Compound Name: N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate
• PubChem CID: 167481717
• Molecular Formula: C28H47N5O6
• Molecular Weight: 549.71 g/mol
• Exact Mass: 549.35
• IUPAC Name: N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate
• SMILES: CC(C)(C)CC(=O)N1CC2C(C1)C2(C)C.COCC(C)OC(N)=O.N#CC(CC1CC2(CC2)NC1=O)NC=O
• InChI: InChI=1S/C13H23NO.C10H13N3O2.C5H11NO3/c1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;11-5-8(12-6-14)3-7-4-10(1-2-10)13-9(7)15;1-4(3-8-2)9-5(6)7/h9-10H,6-8H2,1-5H3;6-8H,1-4H2,(H,12,14)(H,13,15);4H,3H2,1-2H3,(H2,6,7)
• InChIKey: PQHANFRZRSGLPX-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 163.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.71
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate?

The IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate (CID 167481717) is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate.

What is the SMILES notation for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate?

The canonical SMILES for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate is CC(C)(C)CC(=O)N1CC2C(C1)C2(C)C.COCC(C)OC(N)=O.N#CC(CC1CC2(CC2)NC1=O)NC=O.

What is the InChIKey of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate?

The InChIKey is PQHANFRZRSGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C10H13N3O2.C5H11NO3/c1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;11-5-8(12-6-14)3-7-4-10(1-2-10)13-9(7)15;1-4(3-8-2)9-5(6)7/h9-10H,6-8H2,1-5H3;6-8H,1-4H2,(H,12,14)(H,13,15);4H,3H2,1-2H3,(H2,6,7).

What are the key properties of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate?

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate has a molecular weight of 549.71 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;1-methoxypropan-2-yl carbamate is sourced from PubChem (CID 167481717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).