carboxymethyl-(2-methoxyethyl)-dimethylazanium

C7H16NO3+ — CID 118019684

IUPACcarboxymethyl-(2-methoxyethyl)-dimethylazanium
SMILESCOCC[N+](C)(C)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-8(2,4-5-11-3)6-7(9)10/h4-6H2,1-3H3/p+1
InChIKeyGEELHPOQVKWGIK-UHFFFAOYSA-O
MW162.21 g/mol
LogP-0.21
Rot. Bonds5

About carboxymethyl-(2-methoxyethyl)-dimethylazanium

carboxymethyl-(2-methoxyethyl)-dimethylazanium (PubChem CID 118019684) has the molecular formula C7H16NO3+ and a molecular weight of 162.21 g/mol. Its IUPAC name is carboxymethyl-(2-methoxyethyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-(2-methoxyethyl)-dimethylazanium
PubChem CID118019684
Molecular FormulaC7H16NO3+
Molecular Weight162.21 g/mol
Exact Mass162.11
IUPAC Namecarboxymethyl-(2-methoxyethyl)-dimethylazanium
SMILESCOCC[N+](C)(C)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-8(2,4-5-11-3)6-7(9)10/h4-6H2,1-3H3/p+1
InChIKeyGEELHPOQVKWGIK-UHFFFAOYSA-O
XLogP-0.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
CID 146852079
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
carboxymethyl-dimethyl-[2-(2,2,3-trimethylbutanoyloxy)ethyl]azanium
CID 59753071
carboxymethyl-dimethyl-(3-tetradecylperoxypropyl)azanium
CID 57255272
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
carboxymethyl-(10-hydroxydecyl)-dimethylazanium
CID 54427738
carboxymethyl-docosyl-dimethylazanium
CID 21149404
4-aminobutyl-(carboxymethyl)-dimethylazanium
CID 151662160

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-(2-methoxyethyl)-dimethylazanium?
The IUPAC name of carboxymethyl-(2-methoxyethyl)-dimethylazanium (CID 118019684) is carboxymethyl-(2-methoxyethyl)-dimethylazanium.
What is the SMILES notation for carboxymethyl-(2-methoxyethyl)-dimethylazanium?
The canonical SMILES for carboxymethyl-(2-methoxyethyl)-dimethylazanium is COCC[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-(2-methoxyethyl)-dimethylazanium?
The InChIKey is GEELHPOQVKWGIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO3/c1-8(2,4-5-11-3)6-7(9)10/h4-6H2,1-3H3/p+1.
What are the key properties of carboxymethyl-(2-methoxyethyl)-dimethylazanium?
carboxymethyl-(2-methoxyethyl)-dimethylazanium has a molecular weight of 162.21 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-(2-methoxyethyl)-dimethylazanium is sourced from PubChem (CID 118019684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).