3-phenyl-3-pyrrol-1-ylpropanoic acid

C13H13NO2 — CID 3238289

IUPAC3-phenyl-3-pyrrol-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cccc1
InChIInChI=1S/C13H13NO2/c15-13(16)10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,15,16)
InChIKeyGLJWRQSFZOJOLE-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.55
Rot. Bonds4

About 3-phenyl-3-pyrrol-1-ylpropanoic acid

3-phenyl-3-pyrrol-1-ylpropanoic acid (PubChem CID 3238289) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-phenyl-3-pyrrol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-phenyl-3-pyrrol-1-ylpropanoic acid
PubChem CID3238289
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-phenyl-3-pyrrol-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cccc1
InChIInChI=1S/C13H13NO2/c15-13(16)10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,15,16)
InChIKeyGLJWRQSFZOJOLE-UHFFFAOYSA-N
XLogP2.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyrrol-1-ylpropanoic acid?
The IUPAC name of 3-phenyl-3-pyrrol-1-ylpropanoic acid (CID 3238289) is 3-phenyl-3-pyrrol-1-ylpropanoic acid.
What is the SMILES notation for 3-phenyl-3-pyrrol-1-ylpropanoic acid?
The canonical SMILES for 3-phenyl-3-pyrrol-1-ylpropanoic acid is O=C(O)CC(c1ccccc1)n1cccc1.
What is the InChIKey of 3-phenyl-3-pyrrol-1-ylpropanoic acid?
The InChIKey is GLJWRQSFZOJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(16)10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,15,16).
What are the key properties of 3-phenyl-3-pyrrol-1-ylpropanoic acid?
3-phenyl-3-pyrrol-1-ylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyrrol-1-ylpropanoic acid is sourced from PubChem (CID 3238289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).