3-(6-oxo-1H-pyridin-2-yl)propanoic acid

C8H9NO3 — CID 105433299

IUPAC3-(6-oxo-1H-pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1cccc(=O)[nH]1
InChIInChI=1S/C8H9NO3/c10-7-3-1-2-6(9-7)4-5-8(11)12/h1-3H,4-5H2,(H,9,10)(H,11,12)
InChIKeyLLJIWFFTRTWFBZ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.39
Rot. Bonds3

About 3-(6-oxo-1H-pyridin-2-yl)propanoic acid

3-(6-oxo-1H-pyridin-2-yl)propanoic acid (PubChem CID 105433299) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridin-2-yl)propanoic acid
PubChem CID105433299
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-(6-oxo-1H-pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1cccc(=O)[nH]1
InChIInChI=1S/C8H9NO3/c10-7-3-1-2-6(9-7)4-5-8(11)12/h1-3H,4-5H2,(H,9,10)(H,11,12)
InChIKeyLLJIWFFTRTWFBZ-UHFFFAOYSA-N
XLogP0.39
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid (CID 105433299) is 3-(6-oxo-1H-pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-oxo-1H-pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-oxo-1H-pyridin-2-yl)propanoic acid is O=C(O)CCc1cccc(=O)[nH]1.
What is the InChIKey of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid?
The InChIKey is LLJIWFFTRTWFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-7-3-1-2-6(9-7)4-5-8(11)12/h1-3H,4-5H2,(H,9,10)(H,11,12).
What are the key properties of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid?
3-(6-oxo-1H-pyridin-2-yl)propanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridin-2-yl)propanoic acid is sourced from PubChem (CID 105433299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).