(2-ethoxy-2-oxoethyl)-dimethylazanium formate

C7H15NO4 — CID 158266450

IUPAC(2-ethoxy-2-oxoethyl)-dimethylazanium formate
SMILESCCOC(=O)C[NH+](C)C.O=C[O-]
InChIInChI=1S/C6H13NO2.CH2O2/c1-4-9-6(8)5-7(2)3;2-1-3/h4-5H2,1-3H3;1H,(H,2,3)
InChIKeyGIMPROVKQRCIPL-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.94
Rot. Bonds3

About (2-ethoxy-2-oxoethyl)-dimethylazanium formate

(2-ethoxy-2-oxoethyl)-dimethylazanium formate (PubChem CID 158266450) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-dimethylazanium formate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-dimethylazanium formate
PubChem CID158266450
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2-ethoxy-2-oxoethyl)-dimethylazanium formate
SMILESCCOC(=O)C[NH+](C)C.O=C[O-]
InChIInChI=1S/C6H13NO2.CH2O2/c1-4-9-6(8)5-7(2)3;2-1-3/h4-5H2,1-3H3;1H,(H,2,3)
InChIKeyGIMPROVKQRCIPL-UHFFFAOYSA-N
XLogP-2.94
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-oxoethyl)-λ2-stannane
CID 173388689
alumane;ethyl 3-oxopropanoate
CID 173333802
potassium;ethyl 3-oxopropanoate;hydride
CID 174389655
ethyl butanoate;formic acid
CID 160963123
(6-ethoxy-6-oxohexyl)-dimethylazanium
CID 20571658
ethyl propanoate;methane
CID 161360642
diethyl propanedioate;titanium
CID 174779178
diethyl 3-(1-oxobutan-2-yl)pentanedioate
CID 11172937
alumane;ethyl propanoate
CID 174257559
ethyl 2-aminoacetate
CID 45039361
ethyl 3-ethyl-4,5-dioxopentanoate
CID 166091385
diethyl propanedioate;ethane
CID 123991095

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-dimethylazanium formate?
The IUPAC name of (2-ethoxy-2-oxoethyl)-dimethylazanium formate (CID 158266450) is (2-ethoxy-2-oxoethyl)-dimethylazanium formate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-dimethylazanium formate?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-dimethylazanium formate is CCOC(=O)C[NH+](C)C.O=C[O-].
What is the InChIKey of (2-ethoxy-2-oxoethyl)-dimethylazanium formate?
The InChIKey is GIMPROVKQRCIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.CH2O2/c1-4-9-6(8)5-7(2)3;2-1-3/h4-5H2,1-3H3;1H,(H,2,3).
What are the key properties of (2-ethoxy-2-oxoethyl)-dimethylazanium formate?
(2-ethoxy-2-oxoethyl)-dimethylazanium formate has a molecular weight of 177.20 g/mol, XLogP of -2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-dimethylazanium formate is sourced from PubChem (CID 158266450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).