2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium

C10H20NO4+ — CID 2009

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IUPAC2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium
SMILESCC(=O)OC(C)C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H,6-7H2,1-5H3/q+1
InChIKeySRZGFCNCQUMTCP-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.19
Rot. Bonds5

About 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium

2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium (PubChem CID 2009) has the molecular formula C10H20NO4+ and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium
PubChem CID2009
Molecular FormulaC10H20NO4+
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium
SMILESCC(=O)OC(C)C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H,6-7H2,1-5H3/q+1
InChIKeySRZGFCNCQUMTCP-UHFFFAOYSA-N
XLogP0.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium;dimethyl phosphate
CID 88516849
2-(2-carbamoyloxypropanoyloxy)ethyl-trimethylazanium iodide
CID 3056001
2-[2-(2-acetyloxypropanoyloxy)ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 59476545
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
CID 158766752
CID 158732412
CID 158732412
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
trimethyl-[2-(2,3,3-trimethylbutanoyloxy)ethyl]azanium
CID 20759371
(2S)-2-[(2S)-2-[(2S)-2-[3-[(2S)-2-acetyloxypropanoyl]oxypropanoyloxy]propanoyl]oxypropanoyl]oxypropanoic acid
CID 135353579
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium?
The IUPAC name of 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium (CID 2009) is 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium is CC(=O)OC(C)C(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium?
The InChIKey is SRZGFCNCQUMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium?
2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium has a molecular weight of 218.27 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium is sourced from PubChem (CID 2009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).