2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid

C24H21NO3 — CID 175312163

IUPAC2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H21NO3/c26-22(27)16-24(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)25(23(24)28)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,26,27)/t24-/m1/s1
InChIKeyKUFZGBLZCDMAPX-XMMPIXPASA-N
MW371.44 g/mol
LogP4.19
Rot. Bonds6

About 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid

2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid (PubChem CID 175312163) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid
PubChem CID175312163
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H21NO3/c26-22(27)16-24(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)25(23(24)28)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,26,27)/t24-/m1/s1
InChIKeyKUFZGBLZCDMAPX-XMMPIXPASA-N
XLogP4.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic 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 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid (CID 175312163) is 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid is O=C(O)C[C@@]1(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid?
The InChIKey is KUFZGBLZCDMAPX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21NO3/c26-22(27)16-24(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)25(23(24)28)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,26,27)/t24-/m1/s1.
What are the key properties of 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid?
2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid has a molecular weight of 371.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,3-dibenzyl-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 175312163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).