2-(2-oxo-1H-imidazol-3-yl)butanoic acid

C7H10N2O3 — CID 66960784

IUPAC2-(2-oxo-1H-imidazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1cc[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-5(6(10)11)9-4-3-8-7(9)12/h3-5H,2H2,1H3,(H,8,12)(H,10,11)
InChIKeyXOODIRGGEKYNJQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.21
Rot. Bonds3

About 2-(2-oxo-1H-imidazol-3-yl)butanoic acid

2-(2-oxo-1H-imidazol-3-yl)butanoic acid (PubChem CID 66960784) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-oxo-1H-imidazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-imidazol-3-yl)butanoic acid
PubChem CID66960784
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(2-oxo-1H-imidazol-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1cc[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-5(6(10)11)9-4-3-8-7(9)12/h3-5H,2H2,1H3,(H,8,12)(H,10,11)
InChIKeyXOODIRGGEKYNJQ-UHFFFAOYSA-N
XLogP0.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The IUPAC name of 2-(2-oxo-1H-imidazol-3-yl)butanoic acid (CID 66960784) is 2-(2-oxo-1H-imidazol-3-yl)butanoic acid.
What is the SMILES notation for 2-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The canonical SMILES for 2-(2-oxo-1H-imidazol-3-yl)butanoic acid is CCC(C(=O)O)n1cc[nH]c1=O.
What is the InChIKey of 2-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The InChIKey is XOODIRGGEKYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-5(6(10)11)9-4-3-8-7(9)12/h3-5H,2H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-(2-oxo-1H-imidazol-3-yl)butanoic acid?
2-(2-oxo-1H-imidazol-3-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-imidazol-3-yl)butanoic acid is sourced from PubChem (CID 66960784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).