3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid

C11H18N2O4 — CID 103180657

IUPAC3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid
SMILESCOCCCOCCn1c(C(=O)O)cnc1C
InChIInChI=1S/C11H18N2O4/c1-9-12-8-10(11(14)15)13(9)4-7-17-6-3-5-16-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyJAEKZUXWPOLILN-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.94
Rot. Bonds8

About 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid

3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid (PubChem CID 103180657) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid
PubChem CID103180657
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid
SMILESCOCCCOCCn1c(C(=O)O)cnc1C
InChIInChI=1S/C11H18N2O4/c1-9-12-8-10(11(14)15)13(9)4-7-17-6-3-5-16-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyJAEKZUXWPOLILN-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid 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

3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid
CID 103410360
3-(2-butoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172646
3-(2-ethoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172635
2-methyl-3-(3-methylsulfonylpropyl)imidazole-4-carboxylic acid
CID 65172852
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
5-bromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
CID 104565670
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 103407005
5-bromo-3-[3-(2-methoxyethoxy)propyl]-2-methylpyrimidin-4-one
CID 103411680
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 104567631
1-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]triazole-4-carboxylic acid
CID 103176665
5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
CID 104648896
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103413583

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid (CID 103180657) is 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid is COCCCOCCn1c(C(=O)O)cnc1C.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid?
The InChIKey is JAEKZUXWPOLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-9-12-8-10(11(14)15)13(9)4-7-17-6-3-5-16-2/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid?
3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethyl]-2-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 103180657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).