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

C4H11ClN2O2 — CID 11789437

IUPAC[(2-ethoxy-2-oxoethyl)amino]azanium chloride
SMILESCCOC(=O)CN[NH3+].[Cl-]
InChIInChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H
InChIKeyHZZRIIPYFPIKHR-UHFFFAOYSA-N
MW154.60 g/mol
LogP-4.70
Rot. Bonds3

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

[(2-ethoxy-2-oxoethyl)amino]azanium chloride (PubChem CID 11789437) has the molecular formula C4H11ClN2O2 and a molecular weight of 154.60 g/mol. Its IUPAC name is [(2-ethoxy-2-oxoethyl)amino]azanium chloride.

Molecular Properties

Compound Name[(2-ethoxy-2-oxoethyl)amino]azanium chloride
PubChem CID11789437
Molecular FormulaC4H11ClN2O2
Molecular Weight154.60 g/mol
Exact Mass154.05
IUPAC Name[(2-ethoxy-2-oxoethyl)amino]azanium chloride
SMILESCCOC(=O)CN[NH3+].[Cl-]
InChIInChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H
InChIKeyHZZRIIPYFPIKHR-UHFFFAOYSA-N
XLogP-4.70
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 5-4.70
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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Frequently Asked Questions

What is the IUPAC name of [(2-ethoxy-2-oxoethyl)amino]azanium chloride?
The IUPAC name of [(2-ethoxy-2-oxoethyl)amino]azanium chloride (CID 11789437) is [(2-ethoxy-2-oxoethyl)amino]azanium chloride.
What is the SMILES notation for [(2-ethoxy-2-oxoethyl)amino]azanium chloride?
The canonical SMILES for [(2-ethoxy-2-oxoethyl)amino]azanium chloride is CCOC(=O)CN[NH3+].[Cl-].
What is the InChIKey of [(2-ethoxy-2-oxoethyl)amino]azanium chloride?
The InChIKey is HZZRIIPYFPIKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H.
What are the key properties of [(2-ethoxy-2-oxoethyl)amino]azanium chloride?
[(2-ethoxy-2-oxoethyl)amino]azanium chloride has a molecular weight of 154.60 g/mol, XLogP of -4.70, 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 chloride is sourced from PubChem (CID 11789437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).