1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide

C27H44F3N5O6 — CID 167481174

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide (PubChem CID 167481174) has the molecular formula C27H44F3N5O6 and a molecular weight of 591.67 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
• PubChem CID: 167481174
• Molecular Formula: C27H44F3N5O6
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.32
• IUPAC Name: 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
• SMILES: CC(CC(=O)N1CC2C(C1)C2(C)C)OC(C)(C)C.NC(=O)C(F)(F)F.NC(=O)[C@H](CC1CC2(CC2)NC1=O)NC=O
• InChI: InChI=1S/C15H27NO2.C10H15N3O3.C2H2F3NO/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16;3-2(4,5)1(6)7/h10-12H,7-9H2,1-6H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);(H2,6,7)/t;6?,7-;/m.0./s1
• InChIKey: URKMDZGUCSLHAJ-FNHQBQTKSA-N
• XLogP: 1.37
• TPSA: 173.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide (CID 167481174) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide.

What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide is CC(CC(=O)N1CC2C(C1)C2(C)C)OC(C)(C)C.NC(=O)C(F)(F)F.NC(=O)[C@H](CC1CC2(CC2)NC1=O)NC=O.

What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The InChIKey is URKMDZGUCSLHAJ-FNHQBQTKSA-N. The full InChI is InChI=1S/C15H27NO2.C10H15N3O3.C2H2F3NO/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16;3-2(4,5)1(6)7/h10-12H,7-9H2,1-6H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);(H2,6,7)/t;6?,7-;/m.0./s1.

What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide has a molecular weight of 591.67 g/mol, XLogP of 1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 167481174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).