1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid

C8H12N2O3 — CID 117192152

IUPAC1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid
SMILESCCn1cc(COC)nc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-3-10-4-6(5-13-2)9-7(10)8(11)12/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyOKRITRBTXGHELM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.75
Rot. Bonds4

About 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid

1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid (PubChem CID 117192152) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid
PubChem CID117192152
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid
SMILESCCn1cc(COC)nc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-3-10-4-6(5-13-2)9-7(10)8(11)12/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyOKRITRBTXGHELM-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid (CID 117192152) is 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid is CCn1cc(COC)nc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid?
The InChIKey is OKRITRBTXGHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-10-4-6(5-13-2)9-7(10)8(11)12/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid?
1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 117192152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).