3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid

C11H18N2O4 — CID 103410360

IUPAC3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid
SMILESCOCCOCCCn1c(C(=O)O)cnc1C
InChIInChI=1S/C11H18N2O4/c1-9-12-8-10(11(14)15)13(9)4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyFFQSYYWTMAMRHX-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.94
Rot. Bonds8

About 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid

3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid (PubChem CID 103410360) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid
PubChem CID103410360
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid
SMILESCOCCOCCCn1c(C(=O)O)cnc1C
InChIInChI=1S/C11H18N2O4/c1-9-12-8-10(11(14)15)13(9)4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyFFQSYYWTMAMRHX-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'}

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Related Compounds

1-methyl-1H-imidazole-4-carboxylic acid
CID 541509
Methyl 1-methyl-1H-imidazole-5-carboxylate
CID 2736896
1-methyl-1H-imidazole-5-carboxylic acid
CID 2773507
1,3-Dimethylimidazolium-4-carboxylate
CID 479951
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 21503744
2-Ethyl-1H-imidazole-4-carboxylic acid
CID 578816
1-Ethylimidazole-4-carboxylic acid
CID 15047453
tert-butyl 2-formyl-1-methyl-1H-imidazole-5-carboxylate
CID 15867047
1,2-Dimethyl-1H-imidazole-5-carboxylic acid
CID 23361873
7-(1,1-Dimethylethyl) 5,6-dihydroimidazo(1,2-a)pyrazine-2,7(8H)-dicarboxylate
CID 44558548
1-Propyl-1H-imidazole-5-carboxylic acid
CID 45082087

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid (CID 103410360) is 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid is COCCOCCCn1c(C(=O)O)cnc1C.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid?
The InChIKey is FFQSYYWTMAMRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-9-12-8-10(11(14)15)13(9)4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid?
3-[3-(2-methoxyethoxy)propyl]-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-[3-(2-methoxyethoxy)propyl]-2-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 103410360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).