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

C26H40F3N5O6 — CID 167480977

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

(3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide (PubChem CID 167480977) has the molecular formula C26H40F3N5O6 and a molecular weight of 575.63 g/mol. Its IUPAC name is (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
• PubChem CID: 167480977
• Molecular Formula: C26H40F3N5O6
• Molecular Weight: 575.63 g/mol
• Exact Mass: 575.29
• IUPAC Name: (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
• SMILES: C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC1.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F
• InChI: InChI=1S/C14H23NO2.C10H15N3O3.C2H2F3NO/c1-9(17-10-4-5-10)6-13(16)15-7-11-12(8-15)14(11,2)3;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/h9-12H,4-8H2,1-3H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);(H2,6,7)/t9-,11?,12?;;/m1../s1
• InChIKey: CCPKTGRYYNGSRJ-ISFQXWKJSA-N
• XLogP: 0.74
• TPSA: 173.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.63
LogP ≤ 5	0.74
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 (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide?

The IUPAC name of (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide (CID 167480977) is (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide.

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

The canonical SMILES for (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide is C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC1.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F.

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

The InChIKey is CCPKTGRYYNGSRJ-ISFQXWKJSA-N. The full InChI is InChI=1S/C14H23NO2.C10H15N3O3.C2H2F3NO/c1-9(17-10-4-5-10)6-13(16)15-7-11-12(8-15)14(11,2)3;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/h9-12H,4-8H2,1-3H3;5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);(H2,6,7)/t9-,11?,12?;;/m1../s1.

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

(3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide has a molecular weight of 575.63 g/mol, XLogP of 0.74, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 167480977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).