3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid

C17H15NO4 — CID 2766025

IUPAC3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cccc(O)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15NO4/c19-13-6-3-5-11(8-13)15(9-16(20)21)18-10-12-4-1-2-7-14(12)17(18)22/h1-8,15,19H,9-10H2,(H,20,21)
InChIKeyISLYTSGZUMCMAM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.56
Rot. Bonds4

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

3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid (PubChem CID 2766025) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
PubChem CID2766025
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cccc(O)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15NO4/c19-13-6-3-5-11(8-13)15(9-16(20)21)18-10-12-4-1-2-7-14(12)17(18)22/h1-8,15,19H,9-10H2,(H,20,21)
InChIKeyISLYTSGZUMCMAM-UHFFFAOYSA-N
XLogP2.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid (CID 2766025) is 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid is O=C(O)CC(c1cccc(O)c1)N1Cc2ccccc2C1=O.
What is the InChIKey of 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The InChIKey is ISLYTSGZUMCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-13-6-3-5-11(8-13)15(9-16(20)21)18-10-12-4-1-2-7-14(12)17(18)22/h1-8,15,19H,9-10H2,(H,20,21).
What are the key properties of 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid?
3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid is sourced from PubChem (CID 2766025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).