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

C12H12N2O3 — CID 103124356

IUPAC3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cn1cc[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H12N2O3/c15-11(16)10(9-4-2-1-3-5-9)8-14-7-6-13-12(14)17/h1-7,10H,8H2,(H,13,17)(H,15,16)
InChIKeyQEZHRXQNWOOJLP-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.04
Rot. Bonds4

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

3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid (PubChem CID 103124356) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid
PubChem CID103124356
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cn1cc[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H12N2O3/c15-11(16)10(9-4-2-1-3-5-9)8-14-7-6-13-12(14)17/h1-7,10H,8H2,(H,13,17)(H,15,16)
InChIKeyQEZHRXQNWOOJLP-UHFFFAOYSA-N
XLogP1.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylpropyl)-1H-imidazol-2-one
CID 103125958
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylpropanoic acid
CID 54772530
(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid
CID 124516998
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-2-phenylpropanoic acid
CID 63271697
3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid
CID 63073572
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
2-phenylbutanedioic acid
CID 161009404
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
(2S)-2,3-diphenylpropanoic acid
CID 737125

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid (CID 103124356) is 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid is O=C(O)C(Cn1cc[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid?
The InChIKey is QEZHRXQNWOOJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11(16)10(9-4-2-1-3-5-9)8-14-7-6-13-12(14)17/h1-7,10H,8H2,(H,13,17)(H,15,16).
What are the key properties of 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid?
3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-imidazol-3-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 103124356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).