3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid

C22H21N3O3 — CID 4868739

IUPAC3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid
SMILESO=C(CCc1c[nH]c2ccccc12)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C22H21N3O3/c26-21(10-9-14-12-23-18-7-3-1-5-16(14)18)25-20(22(27)28)11-15-13-24-19-8-4-2-6-17(15)19/h1-8,12-13,20,23-24H,9-11H2,(H,25,26)(H,27,28)
InChIKeyIAEZPMDWRDZQSV-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.39
Rot. Bonds7

About 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid

3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid (PubChem CID 4868739) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid
PubChem CID4868739
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid
SMILESO=C(CCc1c[nH]c2ccccc12)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C22H21N3O3/c26-21(10-9-14-12-23-18-7-3-1-5-16(14)18)25-20(22(27)28)11-15-13-24-19-8-4-2-6-17(15)19/h1-8,12-13,20,23-24H,9-11H2,(H,25,26)(H,27,28)
InChIKeyIAEZPMDWRDZQSV-UHFFFAOYSA-N
XLogP3.39
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid (CID 4868739) is 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid is O=C(CCc1c[nH]c2ccccc12)NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid?
The InChIKey is IAEZPMDWRDZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(10-9-14-12-23-18-7-3-1-5-16(14)18)25-20(22(27)28)11-15-13-24-19-8-4-2-6-17(15)19/h1-8,12-13,20,23-24H,9-11H2,(H,25,26)(H,27,28).
What are the key properties of 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid?
3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid has a molecular weight of 375.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 4868739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).