[(2-ethoxy-2-oxoethyl)amino]azanium

C4H11N2O2+ — CID 50936929

IUPAC[(2-ethoxy-2-oxoethyl)amino]azanium
SMILESCCOC(=O)CN[NH3+]
InChIInChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3/p+1
InChIKeyGETVBTMFGVOGRW-UHFFFAOYSA-O
MW119.14 g/mol
LogP-1.70
Rot. Bonds3

About [(2-ethoxy-2-oxoethyl)amino]azanium

[(2-ethoxy-2-oxoethyl)amino]azanium (PubChem CID 50936929) has the molecular formula C4H11N2O2+ and a molecular weight of 119.14 g/mol. Its IUPAC name is [(2-ethoxy-2-oxoethyl)amino]azanium.

Molecular Properties

Compound Name[(2-ethoxy-2-oxoethyl)amino]azanium
PubChem CID50936929
Molecular FormulaC4H11N2O2+
Molecular Weight119.14 g/mol
Exact Mass119.08
IUPAC Name[(2-ethoxy-2-oxoethyl)amino]azanium
SMILESCCOC(=O)CN[NH3+]
InChIInChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3/p+1
InChIKeyGETVBTMFGVOGRW-UHFFFAOYSA-O
XLogP-1.70
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, 2-hydrazinyl-, ethyl ester
CID 12509
Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1)
CID 11593468
Ethyl 2-hydrazinylpropanoate hydrochloride
CID 212483
Tert-butyl 2-hydrazinylacetate
CID 15336054
Methyl 2-hydrazinylacetate
CID 437107
Methyl hydrazinylacetate--hydrogen chloride (1/1)
CID 24201303
Ethyl 2-hydrazinylacetate dihydrochloride
CID 134690713
(2-Ethoxy-2-oxoethyl)azaniumylideneazanide
CID 15833082
2-Hydrazinylethyl acetate
CID 127258981
2-(2-Methylhydrazinyl)ethyl acetate
CID 163673934
Ethyl 2-hydrazinylpropanoate
CID 212484
[(2-Ethoxy-2-oxoethyl)amino]azanium chloride
CID 11789437

Frequently Asked Questions

What is the IUPAC name of [(2-ethoxy-2-oxoethyl)amino]azanium?
The IUPAC name of [(2-ethoxy-2-oxoethyl)amino]azanium (CID 50936929) is [(2-ethoxy-2-oxoethyl)amino]azanium.
What is the SMILES notation for [(2-ethoxy-2-oxoethyl)amino]azanium?
The canonical SMILES for [(2-ethoxy-2-oxoethyl)amino]azanium is CCOC(=O)CN[NH3+].
What is the InChIKey of [(2-ethoxy-2-oxoethyl)amino]azanium?
The InChIKey is GETVBTMFGVOGRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O2/c1-2-8-4(7)3-6-5/h6H,2-3,5H2,1H3/p+1.
What are the key properties of [(2-ethoxy-2-oxoethyl)amino]azanium?
[(2-ethoxy-2-oxoethyl)amino]azanium has a molecular weight of 119.14 g/mol, XLogP of -1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethoxy-2-oxoethyl)amino]azanium is sourced from PubChem (CID 50936929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).