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

C9H14N2O2 — CID 83876061

IUPAC4-(1-ethylimidazol-4-yl)butanoic acid
SMILESCCn1cnc(CCCC(=O)O)c1
InChIInChI=1S/C9H14N2O2/c1-2-11-6-8(10-7-11)4-3-5-9(12)13/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyBFQBHNVNESJGKI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds5

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

4-(1-ethylimidazol-4-yl)butanoic acid (PubChem CID 83876061) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(1-ethylimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-ethylimidazol-4-yl)butanoic acid
PubChem CID83876061
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(1-ethylimidazol-4-yl)butanoic acid
SMILESCCn1cnc(CCCC(=O)O)c1
InChIInChI=1S/C9H14N2O2/c1-2-11-6-8(10-7-11)4-3-5-9(12)13/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyBFQBHNVNESJGKI-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-(1-ethylimidazol-4-yl)propoxy-hydroxy-oxophosphanium
CID 167197925
3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 98014080
bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate
CID 174582971
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
(2R)-2-amino-3-(1-ethylimidazol-4-yl)propanoic acid
CID 92852983
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
2-(1-ethylimidazol-4-yl)-2-methylpropanoic acid
CID 130509294
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
butyl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
CID 166402284
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
CID 98017221
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-4-yl)butanoic acid?
The IUPAC name of 4-(1-ethylimidazol-4-yl)butanoic acid (CID 83876061) is 4-(1-ethylimidazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(1-ethylimidazol-4-yl)butanoic acid?
The canonical SMILES for 4-(1-ethylimidazol-4-yl)butanoic acid is CCn1cnc(CCCC(=O)O)c1.
What is the InChIKey of 4-(1-ethylimidazol-4-yl)butanoic acid?
The InChIKey is BFQBHNVNESJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-11-6-8(10-7-11)4-3-5-9(12)13/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-(1-ethylimidazol-4-yl)butanoic acid?
4-(1-ethylimidazol-4-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-(1-ethylimidazol-4-yl)butanoic acid is sourced from PubChem (CID 83876061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).