[3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide

C19H23F3N3O2- — CID 158192963

About [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide

[3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide (PubChem CID 158192963) has the molecular formula C19H23F3N3O2- and a molecular weight of 382.41 g/mol. Its IUPAC name is [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide.

Molecular Properties

• Compound Name: [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide
• PubChem CID: 158192963
• Molecular Formula: C19H23F3N3O2-
• Molecular Weight: 382.41 g/mol
• Exact Mass: 382.17
• IUPAC Name: [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide
• SMILES: O=C(CN1CC2C(C[N-]Cc3cccc(OC(F)(F)F)c3)C2C1)NC1CC1
• InChI: InChI=1S/C19H23F3N3O2/c20-19(21,22)27-14-3-1-2-12(6-14)7-23-8-15-16-9-25(10-17(15)16)11-18(26)24-13-4-5-13/h1-3,6,13,15-17H,4-5,7-11H2,(H,24,26)/q-1
• InChIKey: FZZKDVZABJYJGV-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 55.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.41
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide?

The IUPAC name of [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide (CID 158192963) is [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide.

What is the SMILES notation for [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide?

The canonical SMILES for [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide is O=C(CN1CC2C(C[N-]Cc3cccc(OC(F)(F)F)c3)C2C1)NC1CC1.

What is the InChIKey of [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide?

The InChIKey is FZZKDVZABJYJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N3O2/c20-19(21,22)27-14-3-1-2-12(6-14)7-23-8-15-16-9-25(10-17(15)16)11-18(26)24-13-4-5-13/h1-3,6,13,15-17H,4-5,7-11H2,(H,24,26)/q-1.

What are the key properties of [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide?

[3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide has a molecular weight of 382.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(cyclopropylamino)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl-[[3-(trifluoromethoxy)phenyl]methyl]azanide is sourced from PubChem (CID 158192963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).