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

C8H12N2O3 — CID 103124399

IUPAC3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid
SMILESCC(C)(CC(=O)O)n1cc[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-8(2,5-6(11)12)10-4-3-9-7(10)13/h3-4H,5H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyZHIVKNAMMISKAM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.39
Rot. Bonds3

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

3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid (PubChem CID 103124399) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid
PubChem CID103124399
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid
SMILESCC(C)(CC(=O)O)n1cc[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-8(2,5-6(11)12)10-4-3-9-7(10)13/h3-4H,5H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyZHIVKNAMMISKAM-UHFFFAOYSA-N
XLogP0.39
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The IUPAC name of 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid (CID 103124399) is 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid is CC(C)(CC(=O)O)n1cc[nH]c1=O.
What is the InChIKey of 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid?
The InChIKey is ZHIVKNAMMISKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,5-6(11)12)10-4-3-9-7(10)13/h3-4H,5H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid?
3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-oxo-1H-imidazol-3-yl)butanoic acid is sourced from PubChem (CID 103124399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).