3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid

C18H17NO3 — CID 3648869

IUPAC3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid
SMILESO=C(O)CCC1CN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO3/c20-17(21)11-10-14-12-19(16-9-5-4-8-15(14)16)18(22)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,21)
InChIKeyAFLXAZDKNBTYER-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.30
Rot. Bonds4

About 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid

3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid (PubChem CID 3648869) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid
PubChem CID3648869
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid
SMILESO=C(O)CCC1CN(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H17NO3/c20-17(21)11-10-14-12-19(16-9-5-4-8-15(14)16)18(22)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,21)
InChIKeyAFLXAZDKNBTYER-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid (CID 3648869) is 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid is O=C(O)CCC1CN(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is AFLXAZDKNBTYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(21)11-10-14-12-19(16-9-5-4-8-15(14)16)18(22)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,21).
What are the key properties of 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid?
3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoyl-2,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 3648869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).