3-(2-phenylindolizin-3-yl)propanoic acid

C17H15NO2 — CID 975538

IUPAC3-(2-phenylindolizin-3-yl)propanoic acid
SMILESO=C(O)CCc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C17H15NO2/c19-17(20)10-9-16-15(13-6-2-1-3-7-13)12-14-8-4-5-11-18(14)16/h1-8,11-12H,9-10H2,(H,19,20)
InChIKeyDBKYPINCUSWWAT-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.62
Rot. Bonds4

About 3-(2-phenylindolizin-3-yl)propanoic acid

3-(2-phenylindolizin-3-yl)propanoic acid (PubChem CID 975538) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-phenylindolizin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-phenylindolizin-3-yl)propanoic acid
PubChem CID975538
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(2-phenylindolizin-3-yl)propanoic acid
SMILESO=C(O)CCc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C17H15NO2/c19-17(20)10-9-16-15(13-6-2-1-3-7-13)12-14-8-4-5-11-18(14)16/h1-8,11-12H,9-10H2,(H,19,20)
InChIKeyDBKYPINCUSWWAT-UHFFFAOYSA-N
XLogP3.62
TPSA41.71 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
1H-Indole-3-propanoic acid
CID 3744
Indoximod
CID 405012
1-Methyl-L-tryptophan
CID 676159
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
Carbazole Butanoic Acid
CID 448769
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 2772042
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
1H-Indole-1-propionic acid
CID 81139
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylindolizin-3-yl)propanoic acid?
The IUPAC name of 3-(2-phenylindolizin-3-yl)propanoic acid (CID 975538) is 3-(2-phenylindolizin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-phenylindolizin-3-yl)propanoic acid?
The canonical SMILES for 3-(2-phenylindolizin-3-yl)propanoic acid is O=C(O)CCc1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 3-(2-phenylindolizin-3-yl)propanoic acid?
The InChIKey is DBKYPINCUSWWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)10-9-16-15(13-6-2-1-3-7-13)12-14-8-4-5-11-18(14)16/h1-8,11-12H,9-10H2,(H,19,20).
What are the key properties of 3-(2-phenylindolizin-3-yl)propanoic acid?
3-(2-phenylindolizin-3-yl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylindolizin-3-yl)propanoic acid is sourced from PubChem (CID 975538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).