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

C19H16N2O3 — CID 3748083

IUPAC3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24)
InChIKeyUCIVYNVXNNEYDV-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.82
Rot. Bonds4

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

3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid (PubChem CID 3748083) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
PubChem CID3748083
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24)
InChIKeyUCIVYNVXNNEYDV-UHFFFAOYSA-N
XLogP2.82
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid (CID 3748083) is 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The InChIKey is UCIVYNVXNNEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24).
What are the key properties of 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid has a molecular weight of 320.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid is sourced from PubChem (CID 3748083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).