2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid

C7H10N2O3 — CID 58592592

IUPAC2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid
SMILESCOCc1ncc(C(=O)O)n1C
InChIInChI=1S/C7H10N2O3/c1-9-5(7(10)11)3-8-6(9)4-12-2/h3H,4H2,1-2H3,(H,10,11)
InChIKeyNKBUYSCVKLLOQV-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.26
Rot. Bonds3

About 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid

2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid (PubChem CID 58592592) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid
PubChem CID58592592
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid
SMILESCOCc1ncc(C(=O)O)n1C
InChIInChI=1S/C7H10N2O3/c1-9-5(7(10)11)3-8-6(9)4-12-2/h3H,4H2,1-2H3,(H,10,11)
InChIKeyNKBUYSCVKLLOQV-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1H-imidazole-4-carboxylic acid
CID 73824
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
Imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 12674617
1,3-Dimethylimidazolium-4-carboxylate
CID 479951
ethyl 2-methyl-1H-imidazole-4-carboxylate
CID 572715
2-Isopropyl-1H-imidazole-4-carboxylic acid
CID 3011557
2-tert-butyl-1H-imidazole-4-carboxylic acid
CID 3011559
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 21503744
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
CID 327546

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid (CID 58592592) is 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid is COCc1ncc(C(=O)O)n1C.
What is the InChIKey of 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid?
The InChIKey is NKBUYSCVKLLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-5(7(10)11)3-8-6(9)4-12-2/h3H,4H2,1-2H3,(H,10,11).
What are the key properties of 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid?
2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 58592592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).