2-(3-ethyl-2-methylimidazol-4-yl)acetic acid

C8H12N2O2 — CID 55254160

IUPAC2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
SMILESCCn1c(CC(=O)O)cnc1C
InChIInChI=1S/C8H12N2O2/c1-3-10-6(2)9-5-7(10)4-8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYYLJZLGZNUVKPM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.84
Rot. Bonds3

About 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid

2-(3-ethyl-2-methylimidazol-4-yl)acetic acid (PubChem CID 55254160) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
PubChem CID55254160
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
SMILESCCn1c(CC(=O)O)cnc1C
InChIInChI=1S/C8H12N2O2/c1-3-10-6(2)9-5-7(10)4-8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYYLJZLGZNUVKPM-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid (CID 55254160) is 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid is CCn1c(CC(=O)O)cnc1C.
What is the InChIKey of 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid?
The InChIKey is YYLJZLGZNUVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-10-6(2)9-5-7(10)4-8(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid?
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid has a molecular weight of 168.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methylimidazol-4-yl)acetic acid is sourced from PubChem (CID 55254160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).