3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid

C11H18N2O2 — CID 83885100

IUPAC3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
SMILESCCn1cnc(C(CC(=O)O)C(C)C)c1
InChIInChI=1S/C11H18N2O2/c1-4-13-6-10(12-7-13)9(8(2)3)5-11(14)15/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyDMNIANXEARDIEE-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.12
Rot. Bonds5

About 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid

3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid (PubChem CID 83885100) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
PubChem CID83885100
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid
SMILESCCn1cnc(C(CC(=O)O)C(C)C)c1
InChIInChI=1S/C11H18N2O2/c1-4-13-6-10(12-7-13)9(8(2)3)5-11(14)15/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyDMNIANXEARDIEE-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid?
The IUPAC name of 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid (CID 83885100) is 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid?
The canonical SMILES for 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid is CCn1cnc(C(CC(=O)O)C(C)C)c1.
What is the InChIKey of 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid?
The InChIKey is DMNIANXEARDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-13-6-10(12-7-13)9(8(2)3)5-11(14)15/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid?
3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-4-yl)-4-methylpentanoic acid is sourced from PubChem (CID 83885100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).