3-(Pyridin-3-yl)propanoic acid

C8H9NO2 — CID 259624

IUPAC3-pyridin-3-ylpropanoic acid
SMILESC1=CC(=CN=C1)CCC(=O)O
InChIInChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyWDGXIUUWINKTGP-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.40
Rot. Bonds3

About 3-(Pyridin-3-yl)propanoic acid

3-(Pyridin-3-yl)propanoic acid (PubChem CID 259624) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(Pyridin-3-yl)propanoic acid
PubChem CID259624
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-pyridin-3-ylpropanoic acid
SMILESC1=CC(=CN=C1)CCC(=O)O
InChIInChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyWDGXIUUWINKTGP-UHFFFAOYSA-N
XLogP0.40
TPSA50.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridineacetic acid
CID 108
Isbogrel
CID 5284442
3-Pyridinepropanol
CID 17861
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
4-Oxo-4-(3-pyridyl)butyric acid
CID 437
4-Pyridineacetic acid hydrochloride
CID 81097
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-4-yl)propanoic acid
CID 233243
L-4-Pyridylalanine
CID 7009701
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
1-(10-Carboxydecyl)pyridin-1-ium bromide
CID 16682529

Frequently Asked Questions

What is the IUPAC name of 3-(Pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(Pyridin-3-yl)propanoic acid (CID 259624) is 3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 3-(Pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(Pyridin-3-yl)propanoic acid is C1=CC(=CN=C1)CCC(=O)O.
What is the InChIKey of 3-(Pyridin-3-yl)propanoic acid?
The InChIKey is WDGXIUUWINKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11).
What are the key properties of 3-(Pyridin-3-yl)propanoic acid?
3-(Pyridin-3-yl)propanoic acid has a molecular weight of 151.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Pyridin-3-yl)propanoic acid is sourced from PubChem (CID 259624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).