5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid

C9H13N3O3 — CID 23616198

IUPAC5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid
SMILESCCn1cnc(C(=O)N(C)C)c1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-4-12-5-10-6(7(12)9(14)15)8(13)11(2)3/h5H,4H2,1-3H3,(H,14,15)
InChIKeyKOLIXYPPQKDGJT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.30
Rot. Bonds3

About 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid

5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid (PubChem CID 23616198) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid
PubChem CID23616198
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid
SMILESCCn1cnc(C(=O)N(C)C)c1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-4-12-5-10-6(7(12)9(14)15)8(13)11(2)3/h5H,4H2,1-3H3,(H,14,15)
InChIKeyKOLIXYPPQKDGJT-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid?
The IUPAC name of 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid (CID 23616198) is 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid?
The canonical SMILES for 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid is CCn1cnc(C(=O)N(C)C)c1C(=O)O.
What is the InChIKey of 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid?
The InChIKey is KOLIXYPPQKDGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-12-5-10-6(7(12)9(14)15)8(13)11(2)3/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid?
5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)-3-ethylimidazole-4-carboxylic acid is sourced from PubChem (CID 23616198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).