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

C17H15NO3 — CID 2764374

IUPAC2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)
InChIKeyFZEBPJBRDFXKIH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.34
Rot. Bonds4

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

2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid (PubChem CID 2764374) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
PubChem CID2764374
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)
InChIKeyFZEBPJBRDFXKIH-UHFFFAOYSA-N
XLogP2.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid (CID 2764374) is 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid?
The InChIKey is FZEBPJBRDFXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid?
2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 2764374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).