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

C10H16N2O2 — CID 61347134

IUPAC5-(2-ethylimidazol-1-yl)pentanoic acid
SMILESCCc1nccn1CCCCC(=O)O
InChIInChI=1S/C10H16N2O2/c1-2-9-11-6-8-12(9)7-4-3-5-10(13)14/h6,8H,2-5,7H2,1H3,(H,13,14)
InChIKeyJUBYDAGESJXNBX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.70
Rot. Bonds6

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

5-(2-ethylimidazol-1-yl)pentanoic acid (PubChem CID 61347134) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)pentanoic acid
PubChem CID61347134
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-(2-ethylimidazol-1-yl)pentanoic acid
SMILESCCc1nccn1CCCCC(=O)O
InChIInChI=1S/C10H16N2O2/c1-2-9-11-6-8-12(9)7-4-3-5-10(13)14/h6,8H,2-5,7H2,1H3,(H,13,14)
InChIKeyJUBYDAGESJXNBX-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Imidazole-1-butanoic acid
CID 3055390
1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic Acid
CID 10241837
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
3-(2-isopropyl-1H-imidazol-1-yl)propanoic acid
CID 747640
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316
12-(1H-imidazol-1-yl)dodecanoic acid
CID 12803318
6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazol-1-yl)pentanoic acid?
The IUPAC name of 5-(2-ethylimidazol-1-yl)pentanoic acid (CID 61347134) is 5-(2-ethylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)pentanoic acid is CCc1nccn1CCCCC(=O)O.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)pentanoic acid?
The InChIKey is JUBYDAGESJXNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-9-11-6-8-12(9)7-4-3-5-10(13)14/h6,8H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 5-(2-ethylimidazol-1-yl)pentanoic acid?
5-(2-ethylimidazol-1-yl)pentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 61347134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).