4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid

C11H18N2O2 — CID 65248356

IUPAC4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
SMILESCCc1nccn1CCC(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-4-9-12-6-8-13(9)7-5-11(2,3)10(14)15/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyXOGPCJFHGNPZBB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.95
Rot. Bonds5

About 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid

4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid (PubChem CID 65248356) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
PubChem CID65248356
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
SMILESCCc1nccn1CCC(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-4-9-12-6-8-13(9)7-5-11(2,3)10(14)15/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyXOGPCJFHGNPZBB-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
4-[2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]-2,2-dimethylbutanoic acid
CID 67081874
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
2,2-dimethyl-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid
CID 80582740
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 90561530
4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
CID 100942188
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
2,2-bis[3-(2-ethylimidazol-1-yl)propanoyloxymethyl]butyl 3-(2-ethylimidazol-1-yl)propanoate
CID 168787285

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid (CID 65248356) is 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid is CCc1nccn1CCC(C)(C)C(=O)O.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid?
The InChIKey is XOGPCJFHGNPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9-12-6-8-13(9)7-5-11(2,3)10(14)15/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid?
4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.95, 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)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).