2-hydroxyethyl(dimethyl)azanium formate

C5H13NO3 — CID 87203804

IUPAC2-hydroxyethyl(dimethyl)azanium formate
SMILESC[NH+](C)CCO.O=C[O-]
InChIInChI=1S/C4H11NO.CH2O2/c1-5(2)3-4-6;2-1-3/h6H,3-4H2,1-2H3;1H,(H,2,3)
InChIKeyVHVATZZFHAQBPR-UHFFFAOYSA-N
MW135.16 g/mol
LogP-3.51
Rot. Bonds2

About 2-hydroxyethyl(dimethyl)azanium formate

2-hydroxyethyl(dimethyl)azanium formate (PubChem CID 87203804) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-hydroxyethyl(dimethyl)azanium formate.

Molecular Properties

Compound Name2-hydroxyethyl(dimethyl)azanium formate
PubChem CID87203804
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-hydroxyethyl(dimethyl)azanium formate
SMILESC[NH+](C)CCO.O=C[O-]
InChIInChI=1S/C4H11NO.CH2O2/c1-5(2)3-4-6;2-1-3/h6H,3-4H2,1-2H3;1H,(H,2,3)
InChIKeyVHVATZZFHAQBPR-UHFFFAOYSA-N
XLogP-3.51
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-3.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
2-hydroxyethyl(dimethyl)azanium acetate
CID 22140086
hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
CID 87203500
2-hydroxyethyl(dimethyl)azanium;octanoate
CID 57346607
benzenesulfonate;2-hydroxyethyl(dimethyl)azanium
CID 139841856
4-hydroxybutyl(dimethyl)azanium chloride
CID 174716092
3-hydroxypropyl(trimethyl)azanium formate
CID 19704308
bis(2-hydroxyethyl)-methylazanium;2-oxopropanoate
CID 163639194
(2-ethoxy-2-oxoethyl)-dimethylazanium formate
CID 158266450
acetaldehyde;ethane-1,2-diol
CID 22738127
bis(2-hydroxyethyl)-methyl-tritioazanium
CID 58606981
CID 145426201
CID 145426201

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(dimethyl)azanium formate?
The IUPAC name of 2-hydroxyethyl(dimethyl)azanium formate (CID 87203804) is 2-hydroxyethyl(dimethyl)azanium formate.
What is the SMILES notation for 2-hydroxyethyl(dimethyl)azanium formate?
The canonical SMILES for 2-hydroxyethyl(dimethyl)azanium formate is C[NH+](C)CCO.O=C[O-].
What is the InChIKey of 2-hydroxyethyl(dimethyl)azanium formate?
The InChIKey is VHVATZZFHAQBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH2O2/c1-5(2)3-4-6;2-1-3/h6H,3-4H2,1-2H3;1H,(H,2,3).
What are the key properties of 2-hydroxyethyl(dimethyl)azanium formate?
2-hydroxyethyl(dimethyl)azanium formate has a molecular weight of 135.16 g/mol, XLogP of -3.51, 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 formate is sourced from PubChem (CID 87203804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).