5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid

C10H14N2O3 — CID 6620569

IUPAC5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid
SMILESCCc1nccn1C(=O)CCCC(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-8-11-6-7-12(8)9(13)4-3-5-10(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyOYTYYJPIYVFCCQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.34
Rot. Bonds5

About 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid

5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid (PubChem CID 6620569) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid
PubChem CID6620569
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid
SMILESCCc1nccn1C(=O)CCCC(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-8-11-6-7-12(8)9(13)4-3-5-10(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyOYTYYJPIYVFCCQ-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
1H-Imidazole-1-hexanoic acid, epsilon-oxo-
CID 109002
Methyl 5-(2-(hydroxymethyl)-1H-imidazol-1-yl)pentanoate
CID 162640702
4-(2-ethyl-1H-imidazol-1-yl)butanoic acid
CID 15687144
5-(2-Ethyl-1h-imidazol-1-yl) pentanoic acid
CID 61347134
5-[3-(1H-imidazol-3-ium-3-yl)propylamino]-5-oxopentanoic acid
CID 139212099
2-Ethyl-5-(3-imidazol-1-ylpropylamino)-4-methyl-5-oxopentanoic acid
CID 139244409
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563749
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-oxopiperidine-3-carboxylic acid
CID 62216403
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874332
4,4-Difluoro-4-(1-methylimidazol-2-yl)butanoic acid
CID 83854962

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid (CID 6620569) is 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid is CCc1nccn1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid?
The InChIKey is OYTYYJPIYVFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-8-11-6-7-12(8)9(13)4-3-5-10(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid?
5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 6620569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).