3-(1-cyclopropylimidazol-4-yl)butanoic acid

C10H14N2O2 — CID 83878835

IUPAC3-(1-cyclopropylimidazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cn(C2CC2)cn1
InChIInChI=1S/C10H14N2O2/c1-7(4-10(13)14)9-5-12(6-11-9)8-2-3-8/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyMMZJASSKDKINIY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds4

About 3-(1-cyclopropylimidazol-4-yl)butanoic acid

3-(1-cyclopropylimidazol-4-yl)butanoic acid (PubChem CID 83878835) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(1-cyclopropylimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-cyclopropylimidazol-4-yl)butanoic acid
PubChem CID83878835
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(1-cyclopropylimidazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cn(C2CC2)cn1
InChIInChI=1S/C10H14N2O2/c1-7(4-10(13)14)9-5-12(6-11-9)8-2-3-8/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyMMZJASSKDKINIY-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-cyclopropylimidazol-4-yl)butanoic 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-(1-cyclopropylimidazol-4-yl)propanoic acid
CID 83875362
2-(1-cyclopentylimidazol-4-yl)propanoic acid
CID 83883845
3-(1-tert-butylimidazol-4-yl)butanoic acid
CID 83885099
3-(1,3-oxazol-4-yl)butanoic acid
CID 82595524
1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one
CID 83889565
1-(4-isocyanocyclohexyl)-4-propan-2-ylimidazole
CID 172535034
1-O-cyclopentyl 3-O-methyl 2-(1-cyclopentylimidazol-4-yl)propanedioate
CID 69250022
N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204550
3-(5-chloropyrazin-2-yl)butanoic acid
CID 83831777
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-pyrimidin-4-ylbutanoic acid
CID 82597054
3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
CID 83885100

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylimidazol-4-yl)butanoic acid?
The IUPAC name of 3-(1-cyclopropylimidazol-4-yl)butanoic acid (CID 83878835) is 3-(1-cyclopropylimidazol-4-yl)butanoic acid.
What is the SMILES notation for 3-(1-cyclopropylimidazol-4-yl)butanoic acid?
The canonical SMILES for 3-(1-cyclopropylimidazol-4-yl)butanoic acid is CC(CC(=O)O)c1cn(C2CC2)cn1.
What is the InChIKey of 3-(1-cyclopropylimidazol-4-yl)butanoic acid?
The InChIKey is MMZJASSKDKINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(4-10(13)14)9-5-12(6-11-9)8-2-3-8/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of 3-(1-cyclopropylimidazol-4-yl)butanoic acid?
3-(1-cyclopropylimidazol-4-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylimidazol-4-yl)butanoic acid is sourced from PubChem (CID 83878835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).