2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium

C6H14NO2+ — CID 88593776

IUPAC2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium
SMILESC[N+](C)(CC=O)CCO
InChIInChI=1S/C6H14NO2/c1-7(2,3-5-8)4-6-9/h5,9H,3-4,6H2,1-2H3/q+1
InChIKeyJANYHVIIXZYRJS-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.75
Rot. Bonds4

About 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium

2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium (PubChem CID 88593776) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium
PubChem CID88593776
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium
SMILESC[N+](C)(CC=O)CCO
InChIInChI=1S/C6H14NO2/c1-7(2,3-5-8)4-6-9/h5,9H,3-4,6H2,1-2H3/q+1
InChIKeyJANYHVIIXZYRJS-UHFFFAOYSA-N
XLogP-0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium (CID 88593776) is 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium is C[N+](C)(CC=O)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium?
The InChIKey is JANYHVIIXZYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2/c1-7(2,3-5-8)4-6-9/h5,9H,3-4,6H2,1-2H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium?
2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium has a molecular weight of 132.18 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(2-oxoethyl)azanium is sourced from PubChem (CID 88593776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).