2-(4-ethylimidazol-1-yl)acetic acid

C7H10N2O2 — CID 54402950

IUPAC2-(4-ethylimidazol-1-yl)acetic acid
SMILESCCc1cn(CC(=O)O)cn1
InChIInChI=1S/C7H10N2O2/c1-2-6-3-9(5-8-6)4-7(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyVOSQEBVHMFGUAW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.53
Rot. Bonds3

About 2-(4-ethylimidazol-1-yl)acetic acid

2-(4-ethylimidazol-1-yl)acetic acid (PubChem CID 54402950) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(4-ethylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethylimidazol-1-yl)acetic acid
PubChem CID54402950
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(4-ethylimidazol-1-yl)acetic acid
SMILESCCc1cn(CC(=O)O)cn1
InChIInChI=1S/C7H10N2O2/c1-2-6-3-9(5-8-6)4-7(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyVOSQEBVHMFGUAW-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylimidazoleacetic acid
CID 75810
1-Methylimidazole-5-acetic acid
CID 6451814
1-But-3-enyl-5-methyl-imidazole-2-carboxylic acid
CID 162421327
Imidazole-1-ethanol, 5-ethyl-2-nitro-
CID 90178
ethyl 2-(4-methyl-1H-imidazol-1-yl)acetate
CID 237336
1-But-3-enyl-4-methyl-imidazole-2-carboxylic acid
CID 162421326
1H-Imidazole-1-acetic acid, 5-ethyl-2-nitro-, ethyl ester
CID 90184
Imidazole-1-acetic acid, 5-methyl-2-nitro-
CID 211784
1-methyl-1H-imidazol-4-acetic acid monohydrochloride
CID 16219703
Imidazole-1-acetic acid, 5-ethyl-2-nitro-
CID 211785
2-(5-methyl-1H-imidazol-1-yl)acetic acid
CID 45156967
2-(1-methyl-1H-imidazol-5-yl)acetic acid hydrochloride
CID 69892609

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4-ethylimidazol-1-yl)acetic acid (CID 54402950) is 2-(4-ethylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethylimidazol-1-yl)acetic acid is CCc1cn(CC(=O)O)cn1.
What is the InChIKey of 2-(4-ethylimidazol-1-yl)acetic acid?
The InChIKey is VOSQEBVHMFGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6-3-9(5-8-6)4-7(10)11/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of 2-(4-ethylimidazol-1-yl)acetic acid?
2-(4-ethylimidazol-1-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylimidazol-1-yl)acetic acid is sourced from PubChem (CID 54402950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).