2-hydroxyethyl(dimethyl)azanium acetate

C6H15NO3 — CID 22140086

IUPAC2-hydroxyethyl(dimethyl)azanium acetate
SMILESCC(=O)[O-].C[NH+](C)CCO
InChIInChI=1S/C4H11NO.C2H4O2/c1-5(2)3-4-6;1-2(3)4/h6H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyVCCSTJCSIICGSB-UHFFFAOYSA-N
MW149.19 g/mol
LogP-3.12
Rot. Bonds2

About 2-hydroxyethyl(dimethyl)azanium acetate

2-hydroxyethyl(dimethyl)azanium acetate (PubChem CID 22140086) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-hydroxyethyl(dimethyl)azanium acetate.

Molecular Properties

Compound Name2-hydroxyethyl(dimethyl)azanium acetate
PubChem CID22140086
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-hydroxyethyl(dimethyl)azanium acetate
SMILESCC(=O)[O-].C[NH+](C)CCO
InChIInChI=1S/C4H11NO.C2H4O2/c1-5(2)3-4-6;1-2(3)4/h6H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyVCCSTJCSIICGSB-UHFFFAOYSA-N
XLogP-3.12
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-3.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl(dimethyl)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

Related Compounds

hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
CID 87203500
2-hydroxyethyl(dimethyl)azanium formate
CID 87203804
2-hydroxyethyl(dimethyl)azanium;octanoate
CID 57346607
bis(2-hydroxyethyl)-methylazanium;2-oxopropanoate
CID 163639194
strontium;ethane-1,2-diol;diacetate
CID 159361133
sodium;acetic acid;ethane-1,2-diol;acetate
CID 174903059
butanedioate;butanedioic acid;2-(dimethylazaniumyl)ethyl-dimethylazanium
CID 139059168
CID 145426201
CID 145426201
silver;ethanol;acetate
CID 162162273
sodium;dodecane-1,12-diol;acetate
CID 162312075
hydroxymethylphosphanium;acetate;phosphate
CID 163479536
europium(2+);propanoate
CID 88778777

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(dimethyl)azanium acetate?
The IUPAC name of 2-hydroxyethyl(dimethyl)azanium acetate (CID 22140086) is 2-hydroxyethyl(dimethyl)azanium acetate.
What is the SMILES notation for 2-hydroxyethyl(dimethyl)azanium acetate?
The canonical SMILES for 2-hydroxyethyl(dimethyl)azanium acetate is CC(=O)[O-].C[NH+](C)CCO.
What is the InChIKey of 2-hydroxyethyl(dimethyl)azanium acetate?
The InChIKey is VCCSTJCSIICGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H4O2/c1-5(2)3-4-6;1-2(3)4/h6H,3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of 2-hydroxyethyl(dimethyl)azanium acetate?
2-hydroxyethyl(dimethyl)azanium acetate has a molecular weight of 149.19 g/mol, XLogP of -3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(dimethyl)azanium acetate is sourced from PubChem (CID 22140086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).