diethyl-(2-hydroxyacetyl)azanium chloride

C6H14ClNO2 — CID 169220950

IUPACdiethyl-(2-hydroxyacetyl)azanium chloride
SMILESCC[NH+](CC)C(=O)CO.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-3-7(4-2)6(9)5-8;/h8H,3-5H2,1-2H3;1H
InChIKeyMMESAYFHLZOKSI-UHFFFAOYSA-N
MW167.64 g/mol
LogP-4.57
Rot. Bonds3

About diethyl-(2-hydroxyacetyl)azanium chloride

diethyl-(2-hydroxyacetyl)azanium chloride (PubChem CID 169220950) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is diethyl-(2-hydroxyacetyl)azanium chloride.

Molecular Properties

Compound Namediethyl-(2-hydroxyacetyl)azanium chloride
PubChem CID169220950
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namediethyl-(2-hydroxyacetyl)azanium chloride
SMILESCC[NH+](CC)C(=O)CO.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-3-7(4-2)6(9)5-8;/h8H,3-5H2,1-2H3;1H
InChIKeyMMESAYFHLZOKSI-UHFFFAOYSA-N
XLogP-4.57
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-4.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diethyl-(2-hydroxyacetyl)azanium chloride?
The IUPAC name of diethyl-(2-hydroxyacetyl)azanium chloride (CID 169220950) is diethyl-(2-hydroxyacetyl)azanium chloride.
What is the SMILES notation for diethyl-(2-hydroxyacetyl)azanium chloride?
The canonical SMILES for diethyl-(2-hydroxyacetyl)azanium chloride is CC[NH+](CC)C(=O)CO.[Cl-].
What is the InChIKey of diethyl-(2-hydroxyacetyl)azanium chloride?
The InChIKey is MMESAYFHLZOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-7(4-2)6(9)5-8;/h8H,3-5H2,1-2H3;1H.
What are the key properties of diethyl-(2-hydroxyacetyl)azanium chloride?
diethyl-(2-hydroxyacetyl)azanium chloride has a molecular weight of 167.64 g/mol, XLogP of -4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-hydroxyacetyl)azanium chloride is sourced from PubChem (CID 169220950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).