3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid

C13H14N2O3 — CID 112707966

IUPAC3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid
SMILESCc1ccccc1-n1ccn(CCC(=O)O)c1=O
InChIInChI=1S/C13H14N2O3/c1-10-4-2-3-5-11(10)15-9-8-14(13(15)18)7-6-12(16)17/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyAVGSVJHGIDXOAU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.42
Rot. Bonds4

About 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid

3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid (PubChem CID 112707966) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid
PubChem CID112707966
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid
SMILESCc1ccccc1-n1ccn(CCC(=O)O)c1=O
InChIInChI=1S/C13H14N2O3/c1-10-4-2-3-5-11(10)15-9-8-14(13(15)18)7-6-12(16)17/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyAVGSVJHGIDXOAU-UHFFFAOYSA-N
XLogP1.42
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid
CID 54493376
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
CID 2823220
2-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]acetic acid
CID 82393478
2-[4-(2,6-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetic acid
CID 95916364
3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid
CID 80580791
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587
3-(1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-5-yl)propanoic acid
CID 84633049
3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
CID 82363949
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
2-[4-(2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30565603

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid (CID 112707966) is 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid is Cc1ccccc1-n1ccn(CCC(=O)O)c1=O.
What is the InChIKey of 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid?
The InChIKey is AVGSVJHGIDXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10-4-2-3-5-11(10)15-9-8-14(13(15)18)7-6-12(16)17/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid?
3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid is sourced from PubChem (CID 112707966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).