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

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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).