2-ethyl-3-methylimidazole-4-carboxylic acid

C7H10N2O2 — CID 82375320

IUPAC2-ethyl-3-methylimidazole-4-carboxylic acid
SMILESCCc1ncc(C(=O)O)n1C
InChIInChI=1S/C7H10N2O2/c1-3-6-8-4-5(7(10)11)9(6)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeySAMSDHZJPKSORX-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.68
Rot. Bonds2

About 2-ethyl-3-methylimidazole-4-carboxylic acid

2-ethyl-3-methylimidazole-4-carboxylic acid (PubChem CID 82375320) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethyl-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-methylimidazole-4-carboxylic acid
PubChem CID82375320
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethyl-3-methylimidazole-4-carboxylic acid
SMILESCCc1ncc(C(=O)O)n1C
InChIInChI=1S/C7H10N2O2/c1-3-6-8-4-5(7(10)11)9(6)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeySAMSDHZJPKSORX-UHFFFAOYSA-N
XLogP0.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-methylimidazole-4-carboxylic acid (CID 82375320) is 2-ethyl-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-methylimidazole-4-carboxylic acid is CCc1ncc(C(=O)O)n1C.
What is the InChIKey of 2-ethyl-3-methylimidazole-4-carboxylic acid?
The InChIKey is SAMSDHZJPKSORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-6-8-4-5(7(10)11)9(6)2/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-ethyl-3-methylimidazole-4-carboxylic acid?
2-ethyl-3-methylimidazole-4-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82375320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).