3-pyridin-2-ylpropanoic acid

C8H9NO2 — CID 564292

IUPAC3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CCc1ccccn1
InChIInChI=1S/C8H9NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2,(H,10,11)
InChIKeyAZYKGQOIAGPVCK-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.10
Rot. Bonds3

About 3-pyridin-2-ylpropanoic acid

3-pyridin-2-ylpropanoic acid (PubChem CID 564292) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-pyridin-2-ylpropanoic acid
PubChem CID564292
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-pyridin-2-ylpropanoic acid
SMILESO=C(O)CCc1ccccn1
InChIInChI=1S/C8H9NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2,(H,10,11)
InChIKeyAZYKGQOIAGPVCK-UHFFFAOYSA-N
XLogP1.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-pyridin-2-ylpropanoic acid (CID 564292) is 3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-pyridin-2-ylpropanoic acid is O=C(O)CCc1ccccn1.
What is the InChIKey of 3-pyridin-2-ylpropanoic acid?
The InChIKey is AZYKGQOIAGPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2,(H,10,11).
What are the key properties of 3-pyridin-2-ylpropanoic acid?
3-pyridin-2-ylpropanoic acid has a molecular weight of 151.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 564292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).