2-hydroxyethylazanium acetate

C4H11NO3 — CID 71438255

IUPAC2-hydroxyethylazanium acetate
SMILESCC(=O)[O-].[NH3+]CCO
InChIInChI=1S/C2H7NO.C2H4O2/c3-1-2-4;1-2(3)4/h4H,1-3H2;1H3,(H,3,4)
InChIKeyVVLAIYIMMFWRFW-UHFFFAOYSA-N
MW121.14 g/mol
LogP-3.02
Rot. Bonds1

About 2-hydroxyethylazanium acetate

2-hydroxyethylazanium acetate (PubChem CID 71438255) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-hydroxyethylazanium acetate.

Molecular Properties

Compound Name2-hydroxyethylazanium acetate
PubChem CID71438255
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name2-hydroxyethylazanium acetate
SMILESCC(=O)[O-].[NH3+]CCO
InChIInChI=1S/C2H7NO.C2H4O2/c3-1-2-4;1-2(3)4/h4H,1-3H2;1H3,(H,3,4)
InChIKeyVVLAIYIMMFWRFW-UHFFFAOYSA-N
XLogP-3.02
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-3.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanol, 1-amino-, acetate (1:1)
CID 134814658
Ethanolamine acetate
CID 108573
Ethanamine, acetate
CID 12203875
2-Aminoethanol;2,2,2-trifluoroacetic acid
CID 13000305
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
Ethanolamine glycine
CID 18008614
Glycin Methanol
CID 19037189
Glycine--ethanol
CID 21832861
N-methyl-2-hydroxyethylammonium acetate
CID 87299177
2-Hydroxy ethylammonium butyrate
CID 87299516
2-Hydroxy ethylammonium propionate
CID 87300075
2-Hydroxy diethylammoniumacetate
CID 88375110

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylazanium acetate?
The IUPAC name of 2-hydroxyethylazanium acetate (CID 71438255) is 2-hydroxyethylazanium acetate.
What is the SMILES notation for 2-hydroxyethylazanium acetate?
The canonical SMILES for 2-hydroxyethylazanium acetate is CC(=O)[O-].[NH3+]CCO.
What is the InChIKey of 2-hydroxyethylazanium acetate?
The InChIKey is VVLAIYIMMFWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.C2H4O2/c3-1-2-4;1-2(3)4/h4H,1-3H2;1H3,(H,3,4).
What are the key properties of 2-hydroxyethylazanium acetate?
2-hydroxyethylazanium acetate has a molecular weight of 121.14 g/mol, XLogP of -3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylazanium acetate is sourced from PubChem (CID 71438255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).