[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium

C18H34N2O6+2 — CID 140638767

IUPAC[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCC(C)CC([NH3+])C(=O)OC1COC2C(OC(=O)C([NH3+])CC(C)C)COC12
InChIInChI=1S/C18H32N2O6/c1-9(2)5-11(19)17(21)25-13-7-23-16-14(8-24-15(13)16)26-18(22)12(20)6-10(3)4/h9-16H,5-8,19-20H2,1-4H3/p+2
InChIKeyILPMNCYBSBSZPS-UHFFFAOYSA-P
MW374.48 g/mol
LogP-1.08
Rot. Bonds8

About [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium

[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium (PubChem CID 140638767) has the molecular formula C18H34N2O6+2 and a molecular weight of 374.48 g/mol. Its IUPAC name is [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium
PubChem CID140638767
Molecular FormulaC18H34N2O6+2
Molecular Weight374.48 g/mol
Exact Mass374.24
IUPAC Name[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCC(C)CC([NH3+])C(=O)OC1COC2C(OC(=O)C([NH3+])CC(C)C)COC12
InChIInChI=1S/C18H32N2O6/c1-9(2)5-11(19)17(21)25-13-7-23-16-14(8-24-15(13)16)26-18(22)12(20)6-10(3)4/h9-16H,5-8,19-20H2,1-4H3/p+2
InChIKeyILPMNCYBSBSZPS-UHFFFAOYSA-P
XLogP-1.08
TPSA126.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium (CID 140638767) is [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium is CC(C)CC([NH3+])C(=O)OC1COC2C(OC(=O)C([NH3+])CC(C)C)COC12.
What is the InChIKey of [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is ILPMNCYBSBSZPS-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H32N2O6/c1-9(2)5-11(19)17(21)25-13-7-23-16-14(8-24-15(13)16)26-18(22)12(20)6-10(3)4/h9-16H,5-8,19-20H2,1-4H3/p+2.
What are the key properties of [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium?
[1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 374.48 g/mol, XLogP of -1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(2-azaniumyl-4-methylpentanoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 140638767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).