bis(2-methoxyethyl)azanium acetate

C8H19NO4 — CID 87096036

IUPACbis(2-methoxyethyl)azanium acetate
SMILESCC(=O)[O-].COCC[NH2+]CCOC
InChIInChI=1S/C6H15NO2.C2H4O2/c1-8-5-3-7-4-6-9-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyVHRRKJWPRRTKLZ-UHFFFAOYSA-N
MW193.24 g/mol
LogP-2.40
Rot. Bonds6

About bis(2-methoxyethyl)azanium acetate

bis(2-methoxyethyl)azanium acetate (PubChem CID 87096036) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is bis(2-methoxyethyl)azanium acetate.

Molecular Properties

Compound Namebis(2-methoxyethyl)azanium acetate
PubChem CID87096036
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Namebis(2-methoxyethyl)azanium acetate
SMILESCC(=O)[O-].COCC[NH2+]CCOC
InChIInChI=1S/C6H15NO2.C2H4O2/c1-8-5-3-7-4-6-9-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyVHRRKJWPRRTKLZ-UHFFFAOYSA-N
XLogP-2.40
TPSA75.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl)azanium acetate?
The IUPAC name of bis(2-methoxyethyl)azanium acetate (CID 87096036) is bis(2-methoxyethyl)azanium acetate.
What is the SMILES notation for bis(2-methoxyethyl)azanium acetate?
The canonical SMILES for bis(2-methoxyethyl)azanium acetate is CC(=O)[O-].COCC[NH2+]CCOC.
What is the InChIKey of bis(2-methoxyethyl)azanium acetate?
The InChIKey is VHRRKJWPRRTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H4O2/c1-8-5-3-7-4-6-9-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of bis(2-methoxyethyl)azanium acetate?
bis(2-methoxyethyl)azanium acetate has a molecular weight of 193.24 g/mol, XLogP of -2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl)azanium acetate is sourced from PubChem (CID 87096036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).