4-(3-tert-butylimidazol-4-yl)butanoic acid

C11H18N2O2 — CID 83885104

IUPAC4-(3-tert-butylimidazol-4-yl)butanoic acid
SMILESCC(C)(C)n1cncc1CCCC(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,3)13-8-12-7-9(13)5-4-6-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyYWFVXLVGBQWIJX-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.05
Rot. Bonds4

About 4-(3-tert-butylimidazol-4-yl)butanoic acid

4-(3-tert-butylimidazol-4-yl)butanoic acid (PubChem CID 83885104) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(3-tert-butylimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-tert-butylimidazol-4-yl)butanoic acid
PubChem CID83885104
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(3-tert-butylimidazol-4-yl)butanoic acid
SMILESCC(C)(C)n1cncc1CCCC(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,3)13-8-12-7-9(13)5-4-6-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyYWFVXLVGBQWIJX-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-tert-butylimidazol-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylimidazol-4-yl)butanoic acid?
The IUPAC name of 4-(3-tert-butylimidazol-4-yl)butanoic acid (CID 83885104) is 4-(3-tert-butylimidazol-4-yl)butanoic acid.
What is the SMILES notation for 4-(3-tert-butylimidazol-4-yl)butanoic acid?
The canonical SMILES for 4-(3-tert-butylimidazol-4-yl)butanoic acid is CC(C)(C)n1cncc1CCCC(=O)O.
What is the InChIKey of 4-(3-tert-butylimidazol-4-yl)butanoic acid?
The InChIKey is YWFVXLVGBQWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)13-8-12-7-9(13)5-4-6-10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-(3-tert-butylimidazol-4-yl)butanoic acid?
4-(3-tert-butylimidazol-4-yl)butanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylimidazol-4-yl)butanoic acid is sourced from PubChem (CID 83885104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).