3-(2-phenylindol-1-yl)propanoic acid

C17H15NO2 — CID 803793

IUPAC3-(2-phenylindol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
InChIKeyCPWLVJORIJEUHI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.78
Rot. Bonds4

About 3-(2-phenylindol-1-yl)propanoic acid

3-(2-phenylindol-1-yl)propanoic acid (PubChem CID 803793) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-phenylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-phenylindol-1-yl)propanoic acid
PubChem CID803793
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(2-phenylindol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
InChIKeyCPWLVJORIJEUHI-UHFFFAOYSA-N
XLogP3.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylindol-1-yl)propanoic acid?
The IUPAC name of 3-(2-phenylindol-1-yl)propanoic acid (CID 803793) is 3-(2-phenylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-phenylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-phenylindol-1-yl)propanoic acid is O=C(O)CCn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 3-(2-phenylindol-1-yl)propanoic acid?
The InChIKey is CPWLVJORIJEUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of 3-(2-phenylindol-1-yl)propanoic acid?
3-(2-phenylindol-1-yl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylindol-1-yl)propanoic acid is sourced from PubChem (CID 803793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).