diethyl(2-hydroxyethyl)azanium acetate

C8H19NO3 — CID 3014772

IUPACdiethyl(2-hydroxyethyl)azanium acetate
SMILESCC(=O)[O-].CC[NH+](CC)CCO
InChIInChI=1S/C6H15NO.C2H4O2/c1-3-7(4-2)5-6-8;1-2(3)4/h8H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyMLVIXBBRXGJUJF-UHFFFAOYSA-N
MW177.24 g/mol
LogP-2.34
Rot. Bonds4

About diethyl(2-hydroxyethyl)azanium acetate

diethyl(2-hydroxyethyl)azanium acetate (PubChem CID 3014772) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is diethyl(2-hydroxyethyl)azanium acetate.

Molecular Properties

Compound Namediethyl(2-hydroxyethyl)azanium acetate
PubChem CID3014772
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Namediethyl(2-hydroxyethyl)azanium acetate
SMILESCC(=O)[O-].CC[NH+](CC)CCO
InChIInChI=1S/C6H15NO.C2H4O2/c1-3-7(4-2)5-6-8;1-2(3)4/h8H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyMLVIXBBRXGJUJF-UHFFFAOYSA-N
XLogP-2.34
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxyethyl)glycine
CID 225935
[Bis(2-hydroxyethyl)ammonio]acetate
CID 5256512
Diethanolamine acetate
CID 159946
Triethanolamine acetate
CID 159752
2-Propanol, 1,1'-iminobis-, acetate (1:1)
CID 23364159
Ethanol, 2-[(2-aminoethyl)amino]-, acetate (1:2)
CID 88432483
Triethanolamine cocoyl sarcosinate
CID 6455968
Diethyl(2-hydroxyethyl)ammonium acetate
CID 44148574
Glycine--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
CID 160070
Tri-(2-hydroxyethyl) ammonium acetate
CID 24180695
2-Hydroxy-N-(2-hydroxyethyl)ethan-1-aminium acetate
CID 24180697
2-Hydroxyacetate;tris(2-hydroxyethyl)azanium
CID 53470594

Frequently Asked Questions

What is the IUPAC name of diethyl(2-hydroxyethyl)azanium acetate?
The IUPAC name of diethyl(2-hydroxyethyl)azanium acetate (CID 3014772) is diethyl(2-hydroxyethyl)azanium acetate.
What is the SMILES notation for diethyl(2-hydroxyethyl)azanium acetate?
The canonical SMILES for diethyl(2-hydroxyethyl)azanium acetate is CC(=O)[O-].CC[NH+](CC)CCO.
What is the InChIKey of diethyl(2-hydroxyethyl)azanium acetate?
The InChIKey is MLVIXBBRXGJUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C2H4O2/c1-3-7(4-2)5-6-8;1-2(3)4/h8H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of diethyl(2-hydroxyethyl)azanium acetate?
diethyl(2-hydroxyethyl)azanium acetate has a molecular weight of 177.24 g/mol, XLogP of -2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-hydroxyethyl)azanium acetate is sourced from PubChem (CID 3014772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).