2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride

C6H14ClNO2 — CID 141048254

IUPAC2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride
SMILESCC(=O)C[NH+](C)CCO.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-6(9)5-7(2)3-4-8;/h8H,3-5H2,1-2H3;1H
InChIKeyUGIBLBMLDWTJMW-UHFFFAOYSA-N
MW167.64 g/mol
LogP-4.91
Rot. Bonds4

About 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride

2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride (PubChem CID 141048254) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride.

Molecular Properties

Compound Name2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride
PubChem CID141048254
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride
SMILESCC(=O)C[NH+](C)CCO.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-6(9)5-7(2)3-4-8;/h8H,3-5H2,1-2H3;1H
InChIKeyUGIBLBMLDWTJMW-UHFFFAOYSA-N
XLogP-4.91
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-4.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxybutan-2-one;yttrium
CID 176852121
bis(2-hydroxyethyl)-methylazanium;2-oxopropanoate
CID 163639194
4-hydroxybutan-2-one;titanium
CID 174617522
2-hydroxyethyl(dimethyl)azanium acetate
CID 22140086
hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
CID 87203500
5-hydroxypentan-2-one
CID 162230963
hexane-2,5-dione
CID 8035
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium
CID 6984954
19-hydroxynonadecan-2-one
CID 123829227
21-hydroxyhenicosan-2-one
CID 153324955

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride?
The IUPAC name of 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride (CID 141048254) is 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride.
What is the SMILES notation for 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride?
The canonical SMILES for 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride is CC(=O)C[NH+](C)CCO.[Cl-].
What is the InChIKey of 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride?
The InChIKey is UGIBLBMLDWTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(9)5-7(2)3-4-8;/h8H,3-5H2,1-2H3;1H.
What are the key properties of 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride?
2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride has a molecular weight of 167.64 g/mol, XLogP of -4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride is sourced from PubChem (CID 141048254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).