3-(1-tert-butylimidazol-4-yl)butanoic acid

C11H18N2O2 — CID 83885099

IUPAC3-(1-tert-butylimidazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cn(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-8(5-10(14)15)9-6-13(7-12-9)11(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyOWROOCQLJKBTSR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.22
Rot. Bonds3

About 3-(1-tert-butylimidazol-4-yl)butanoic acid

3-(1-tert-butylimidazol-4-yl)butanoic acid (PubChem CID 83885099) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-tert-butylimidazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-tert-butylimidazol-4-yl)butanoic acid
PubChem CID83885099
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(1-tert-butylimidazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cn(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-8(5-10(14)15)9-6-13(7-12-9)11(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyOWROOCQLJKBTSR-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylimidazol-4-yl)butanoic acid
CID 83878835
3-(1,3-oxazol-4-yl)butanoic acid
CID 82595524
1-(1-tert-butylimidazol-4-yl)propan-2-one
CID 83875480
3-pyrimidin-4-ylbutanoic acid
CID 82597054
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-(5-chloropyrazin-2-yl)butanoic acid
CID 83831777
3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
CID 83885100
2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide
CID 142032314
argon;3-methylbutanoic acid
CID 158006921
3-(2-propan-2-yltetrazol-5-yl)butanoic acid
CID 84668247
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
ethyl 3-[1-(trifluoromethylsulfonyl)imidazol-4-yl]butanoate
CID 70318900

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylimidazol-4-yl)butanoic acid?
The IUPAC name of 3-(1-tert-butylimidazol-4-yl)butanoic acid (CID 83885099) is 3-(1-tert-butylimidazol-4-yl)butanoic acid.
What is the SMILES notation for 3-(1-tert-butylimidazol-4-yl)butanoic acid?
The canonical SMILES for 3-(1-tert-butylimidazol-4-yl)butanoic acid is CC(CC(=O)O)c1cn(C(C)(C)C)cn1.
What is the InChIKey of 3-(1-tert-butylimidazol-4-yl)butanoic acid?
The InChIKey is OWROOCQLJKBTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(5-10(14)15)9-6-13(7-12-9)11(2,3)4/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-(1-tert-butylimidazol-4-yl)butanoic acid?
3-(1-tert-butylimidazol-4-yl)butanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylimidazol-4-yl)butanoic acid is sourced from PubChem (CID 83885099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).