2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid

C10H17N3O3 — CID 58592605

IUPAC2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid
SMILESCOCCN(C)Cc1ncc(C(=O)O)n1C
InChIInChI=1S/C10H17N3O3/c1-12(4-5-16-3)7-9-11-6-8(10(14)15)13(9)2/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyJDZLQXQZCBJFOI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.20
Rot. Bonds6

About 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid

2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid (PubChem CID 58592605) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid
PubChem CID58592605
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid
SMILESCOCCN(C)Cc1ncc(C(=O)O)n1C
InChIInChI=1S/C10H17N3O3/c1-12(4-5-16-3)7-9-11-6-8(10(14)15)13(9)2/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyJDZLQXQZCBJFOI-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid (CID 58592605) is 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid is COCCN(C)Cc1ncc(C(=O)O)n1C.
What is the InChIKey of 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid?
The InChIKey is JDZLQXQZCBJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12(4-5-16-3)7-9-11-6-8(10(14)15)13(9)2/h6H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid?
2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(methyl)amino]methyl]-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 58592605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).