2-butanoyloxyethyl(trimethyl)azanium

C9H20NO2+ — CID 17233

IUPAC2-butanoyloxyethyl(trimethyl)azanium
SMILESCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyYRIBGSCJIMXMPJ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.04
Rot. Bonds5

About 2-butanoyloxyethyl(trimethyl)azanium

2-butanoyloxyethyl(trimethyl)azanium (PubChem CID 17233) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-butanoyloxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-butanoyloxyethyl(trimethyl)azanium
PubChem CID17233
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-butanoyloxyethyl(trimethyl)azanium
SMILESCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyYRIBGSCJIMXMPJ-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butanoyloxyethyl(trimethyl)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 2-butanoyloxyethyl(trimethyl)azanium?
The IUPAC name of 2-butanoyloxyethyl(trimethyl)azanium (CID 17233) is 2-butanoyloxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-butanoyloxyethyl(trimethyl)azanium?
The canonical SMILES for 2-butanoyloxyethyl(trimethyl)azanium is CCCC(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-butanoyloxyethyl(trimethyl)azanium?
The InChIKey is YRIBGSCJIMXMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1.
What are the key properties of 2-butanoyloxyethyl(trimethyl)azanium?
2-butanoyloxyethyl(trimethyl)azanium has a molecular weight of 174.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyloxyethyl(trimethyl)azanium is sourced from PubChem (CID 17233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).