(2-ethoxy-2-oxoethyl)azanium chloride

C4H10ClNO2 — CID 12175

IUPAC(2-ethoxy-2-oxoethyl)azanium chloride
SMILESCCOC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
InChIKeyTXTWXQXDMWILOF-UHFFFAOYSA-N
MW139.58 g/mol
LogP-4.20
Rot. Bonds2

About (2-ethoxy-2-oxoethyl)azanium chloride

(2-ethoxy-2-oxoethyl)azanium chloride (PubChem CID 12175) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)azanium chloride.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)azanium chloride
PubChem CID12175
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Name(2-ethoxy-2-oxoethyl)azanium chloride
SMILESCCOC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
InChIKeyTXTWXQXDMWILOF-UHFFFAOYSA-N
XLogP-4.20
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-ethoxy-2-oxoethyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glycine ethyl ester
CID 12176
Glycine ethyl ester, hydrochloride
CID 2723640
Glycine methyl ester hydrochloride
CID 122755
Ethyl N-methylaminoacetate hydrochloride
CID 171173
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
2-aminoethyl Acetate
CID 112720
Propyl aminoacetate hydrochloride
CID 2759254
Glycine, butyl ester, hydrochloride (1:1)
CID 83080
Glycine, 1,1'-anhydride
CID 20177
2-Aminoethyl acetate hydrochloride
CID 19930857
Ethyl 2-(methoxyamino)acetate
CID 60702616
Propan-2-yl 2-aminoacetate hydrochloride
CID 23033482

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)azanium chloride?
The IUPAC name of (2-ethoxy-2-oxoethyl)azanium chloride (CID 12175) is (2-ethoxy-2-oxoethyl)azanium chloride.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)azanium chloride?
The canonical SMILES for (2-ethoxy-2-oxoethyl)azanium chloride is CCOC(=O)C[NH3+].[Cl-].
What is the InChIKey of (2-ethoxy-2-oxoethyl)azanium chloride?
The InChIKey is TXTWXQXDMWILOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H.
What are the key properties of (2-ethoxy-2-oxoethyl)azanium chloride?
(2-ethoxy-2-oxoethyl)azanium chloride has a molecular weight of 139.58 g/mol, XLogP of -4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)azanium chloride is sourced from PubChem (CID 12175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).