1-ethylimidazole-2-carboxylic acid

C6H8N2O2 — CID 2113911

IUPAC1-ethylimidazole-2-carboxylic acid
SMILESCCn1ccnc1C(=O)O
InChIInChI=1S/C6H8N2O2/c1-2-8-4-3-7-5(8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyFTZHODMUSZODBY-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.60
Rot. Bonds2

About 1-ethylimidazole-2-carboxylic acid

1-ethylimidazole-2-carboxylic acid (PubChem CID 2113911) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-ethylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylimidazole-2-carboxylic acid
PubChem CID2113911
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-ethylimidazole-2-carboxylic acid
SMILESCCn1ccnc1C(=O)O
InChIInChI=1S/C6H8N2O2/c1-2-8-4-3-7-5(8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyFTZHODMUSZODBY-UHFFFAOYSA-N
XLogP0.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylimidazole-2-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

Related Compounds

2-Methyl-5-nitroimidazole-1-acetic acid
CID 115249
Imidazole-1-acetic acid
CID 656129
1-methyl-1H-imidazole-2-carboxylic acid
CID 557678
(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid
CID 204395
1-Ethyl-3-methylimidazolium acetate
CID 11658353
2-Methyl-1H-imidazole-1-ethanol
CID 74169
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
1H-Imidazole-2-carboxylic acid
CID 574321
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387

Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole-2-carboxylic acid?
The IUPAC name of 1-ethylimidazole-2-carboxylic acid (CID 2113911) is 1-ethylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-ethylimidazole-2-carboxylic acid?
The canonical SMILES for 1-ethylimidazole-2-carboxylic acid is CCn1ccnc1C(=O)O.
What is the InChIKey of 1-ethylimidazole-2-carboxylic acid?
The InChIKey is FTZHODMUSZODBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-8-4-3-7-5(8)6(9)10/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 1-ethylimidazole-2-carboxylic acid?
1-ethylimidazole-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole-2-carboxylic acid is sourced from PubChem (CID 2113911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).