2-hydroxyethyl(trimethyl)azanium acetate

C7H17NO3 — CID 11643980

IUPAC2-hydroxyethyl(trimethyl)azanium acetate
SMILESCC(=O)[O-].C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C2H4O2/c1-6(2,3)4-5-7;1-2(3)4/h7H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyQLKGUVGAXDXFFW-UHFFFAOYSA-M
MW163.22 g/mol
LogP-1.56
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium acetate

2-hydroxyethyl(trimethyl)azanium acetate (PubChem CID 11643980) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium acetate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium acetate
PubChem CID11643980
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-hydroxyethyl(trimethyl)azanium acetate
SMILESCC(=O)[O-].C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C2H4O2/c1-6(2,3)4-5-7;1-2(3)4/h7H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyQLKGUVGAXDXFFW-UHFFFAOYSA-M
XLogP-1.56
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl(trimethyl)azanium acetate 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-hydroxyethyl(trimethyl)azanium acetate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium acetate (CID 11643980) is 2-hydroxyethyl(trimethyl)azanium acetate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium acetate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium acetate is CC(=O)[O-].C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium acetate?
The InChIKey is QLKGUVGAXDXFFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C2H4O2/c1-6(2,3)4-5-7;1-2(3)4/h7H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium acetate?
2-hydroxyethyl(trimethyl)azanium acetate has a molecular weight of 163.22 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium acetate is sourced from PubChem (CID 11643980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).