2-(3-ethylimidazol-4-yl)propanoic acid

C8H12N2O2 — CID 83873746

IUPAC2-(3-ethylimidazol-4-yl)propanoic acid
SMILESCCn1cncc1C(C)C(=O)O
InChIInChI=1S/C8H12N2O2/c1-3-10-5-9-4-7(10)6(2)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyFQAJJKVJHMLBAY-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.09
Rot. Bonds3

About 2-(3-ethylimidazol-4-yl)propanoic acid

2-(3-ethylimidazol-4-yl)propanoic acid (PubChem CID 83873746) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)propanoic acid
PubChem CID83873746
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3-ethylimidazol-4-yl)propanoic acid
SMILESCCn1cncc1C(C)C(=O)O
InChIInChI=1S/C8H12N2O2/c1-3-10-5-9-4-7(10)6(2)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyFQAJJKVJHMLBAY-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)propanoic acid?
The IUPAC name of 2-(3-ethylimidazol-4-yl)propanoic acid (CID 83873746) is 2-(3-ethylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)propanoic acid?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)propanoic acid is CCn1cncc1C(C)C(=O)O.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)propanoic acid?
The InChIKey is FQAJJKVJHMLBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-10-5-9-4-7(10)6(2)8(11)12/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-ethylimidazol-4-yl)propanoic acid?
2-(3-ethylimidazol-4-yl)propanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 83873746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).