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

C9H14N2O2 — CID 15687144

IUPAC4-(2-ethylimidazol-1-yl)butanoic acid
SMILESCCc1nccn1CCCC(=O)O
InChIInChI=1S/C9H14N2O2/c1-2-8-10-5-7-11(8)6-3-4-9(12)13/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyLMEKLMBAGNPREP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds5

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

4-(2-ethylimidazol-1-yl)butanoic acid (PubChem CID 15687144) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)butanoic acid
PubChem CID15687144
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-ethylimidazol-1-yl)butanoic acid
SMILESCCc1nccn1CCCC(=O)O
InChIInChI=1S/C9H14N2O2/c1-2-8-10-5-7-11(8)6-3-4-9(12)13/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyLMEKLMBAGNPREP-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-1-yl)propanoic acid
CID 2794718
1H-Imidazole-1-butanoic acid
CID 3055390
1-Ethyl-3-methylimidazolium acetate
CID 11658353
3-(1H-Imidazol-2-yl)propanoic acid
CID 18320517
Ethyl 1H-imidazole-1-butanoate
CID 3055389
3-(1H-imidazol-1-yl)butanoic acid
CID 3101198
3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
1-Propylimidazole-2-carboxylic acid
CID 64137870
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid hydrochloride
CID 9549448
3-(2-isopropyl-1H-imidazol-1-yl)propanoic acid
CID 747640

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-ethylimidazol-1-yl)butanoic acid (CID 15687144) is 4-(2-ethylimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)butanoic acid is CCc1nccn1CCCC(=O)O.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)butanoic acid?
The InChIKey is LMEKLMBAGNPREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8-10-5-7-11(8)6-3-4-9(12)13/h5,7H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 4-(2-ethylimidazol-1-yl)butanoic acid?
4-(2-ethylimidazol-1-yl)butanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)butanoic acid is sourced from PubChem (CID 15687144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).