(2-ethoxy-2-oxoethyl)-methylazanium chloride

C5H12ClNO2 — CID 10888117

IUPAC(2-ethoxy-2-oxoethyl)-methylazanium chloride
SMILESCCOC(=O)C[NH2+]C.[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
InChIKeyNIDZUMSLERGAON-UHFFFAOYSA-N
MW153.61 g/mol
LogP-4.25
Rot. Bonds3

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

(2-ethoxy-2-oxoethyl)-methylazanium chloride (PubChem CID 10888117) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-methylazanium chloride.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-methylazanium chloride
PubChem CID10888117
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(2-ethoxy-2-oxoethyl)-methylazanium chloride
SMILESCCOC(=O)C[NH2+]C.[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
InChIKeyNIDZUMSLERGAON-UHFFFAOYSA-N
XLogP-4.25
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-4.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl propanoate;titanium(4+);tetrachloride
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CID 15707103
diethyl propanedioate;titanium
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alumane;ethyl propanoate
CID 174257559
ethyl 2-aminoacetate
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ethyl propanoate;methane
CID 161360642
diethyl propanedioate;ethane
CID 123991095
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
calcium;ethyl propanoate;hydride
CID 173132885
ethyl (1,2-13C2)butanoate
CID 157463359
potassium;diethyl propanedioate;sulfanide
CID 159289328

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-methylazanium chloride?
The IUPAC name of (2-ethoxy-2-oxoethyl)-methylazanium chloride (CID 10888117) is (2-ethoxy-2-oxoethyl)-methylazanium chloride.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-methylazanium chloride?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-methylazanium chloride is CCOC(=O)C[NH2+]C.[Cl-].
What is the InChIKey of (2-ethoxy-2-oxoethyl)-methylazanium chloride?
The InChIKey is NIDZUMSLERGAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H.
What are the key properties of (2-ethoxy-2-oxoethyl)-methylazanium chloride?
(2-ethoxy-2-oxoethyl)-methylazanium chloride has a molecular weight of 153.61 g/mol, XLogP of -4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-methylazanium chloride is sourced from PubChem (CID 10888117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).