3-indolizin-1-ylpropanoic acid

C11H11NO2 — CID 70438951

IUPAC3-indolizin-1-ylpropanoic acid
SMILESO=C(O)CCc1ccn2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)5-4-9-6-8-12-7-2-1-3-10(9)12/h1-3,6-8H,4-5H2,(H,13,14)
InChIKeyQNFZIADTSOUSEB-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.96
Rot. Bonds3

About 3-indolizin-1-ylpropanoic acid

3-indolizin-1-ylpropanoic acid (PubChem CID 70438951) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-indolizin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-indolizin-1-ylpropanoic acid
PubChem CID70438951
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-indolizin-1-ylpropanoic acid
SMILESO=C(O)CCc1ccn2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)5-4-9-6-8-12-7-2-1-3-10(9)12/h1-3,6-8H,4-5H2,(H,13,14)
InChIKeyQNFZIADTSOUSEB-UHFFFAOYSA-N
XLogP1.96
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-indolizin-1-ylpropanoic acid?
The IUPAC name of 3-indolizin-1-ylpropanoic acid (CID 70438951) is 3-indolizin-1-ylpropanoic acid.
What is the SMILES notation for 3-indolizin-1-ylpropanoic acid?
The canonical SMILES for 3-indolizin-1-ylpropanoic acid is O=C(O)CCc1ccn2ccccc12.
What is the InChIKey of 3-indolizin-1-ylpropanoic acid?
The InChIKey is QNFZIADTSOUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)5-4-9-6-8-12-7-2-1-3-10(9)12/h1-3,6-8H,4-5H2,(H,13,14).
What are the key properties of 3-indolizin-1-ylpropanoic acid?
3-indolizin-1-ylpropanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indolizin-1-ylpropanoic acid is sourced from PubChem (CID 70438951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).