carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium

C9H20NO4+ — CID 146852079

IUPACcarboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
SMILESCOCCOCC[N+](C)(C)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-10(2,8-9(11)12)4-5-14-7-6-13-3/h4-8H2,1-3H3/p+1
InChIKeySKCJYCBGWUHWLE-UHFFFAOYSA-O
MW206.26 g/mol
LogP-0.19
Rot. Bonds8

About carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium

carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium (PubChem CID 146852079) has the molecular formula C9H20NO4+ and a molecular weight of 206.26 g/mol. Its IUPAC name is carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
PubChem CID146852079
Molecular FormulaC9H20NO4+
Molecular Weight206.26 g/mol
Exact Mass206.14
IUPAC Namecarboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
SMILESCOCCOCC[N+](C)(C)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-10(2,8-9(11)12)4-5-14-7-6-13-3/h4-8H2,1-3H3/p+1
InChIKeySKCJYCBGWUHWLE-UHFFFAOYSA-O
XLogP-0.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium?
The IUPAC name of carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium (CID 146852079) is carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium.
What is the SMILES notation for carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium?
The canonical SMILES for carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium is COCCOCC[N+](C)(C)CC(=O)O.
What is the InChIKey of carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium?
The InChIKey is SKCJYCBGWUHWLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO4/c1-10(2,8-9(11)12)4-5-14-7-6-13-3/h4-8H2,1-3H3/p+1.
What are the key properties of carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium?
carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium has a molecular weight of 206.26 g/mol, XLogP of -0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium is sourced from PubChem (CID 146852079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).