3-(4,5-dimethylimidazol-1-yl)pentanoic acid

C10H16N2O2 — CID 63074265

IUPAC3-(4,5-dimethylimidazol-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)n1cnc(C)c1C
InChIInChI=1S/C10H16N2O2/c1-4-9(5-10(13)14)12-6-11-7(2)8(12)3/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyZRZXFLZKAOBURR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.93
Rot. Bonds4

About 3-(4,5-dimethylimidazol-1-yl)pentanoic acid

3-(4,5-dimethylimidazol-1-yl)pentanoic acid (PubChem CID 63074265) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)pentanoic acid
PubChem CID63074265
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(4,5-dimethylimidazol-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)n1cnc(C)c1C
InChIInChI=1S/C10H16N2O2/c1-4-9(5-10(13)14)12-6-11-7(2)8(12)3/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyZRZXFLZKAOBURR-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)pentanoic acid?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)pentanoic acid (CID 63074265) is 3-(4,5-dimethylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)pentanoic acid is CCC(CC(=O)O)n1cnc(C)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)pentanoic acid?
The InChIKey is ZRZXFLZKAOBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9(5-10(13)14)12-6-11-7(2)8(12)3/h6,9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)pentanoic acid?
3-(4,5-dimethylimidazol-1-yl)pentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 63074265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).