3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid

C8H9NO4 — CID 82056005

IUPAC3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid
SMILESO=C(O)CCOc1ccc[nH]c1=O
InChIInChI=1S/C8H9NO4/c10-7(11)3-5-13-6-2-1-4-9-8(6)12/h1-2,4H,3,5H2,(H,9,12)(H,10,11)
InChIKeyRPZNLEZIRFGTFJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.23
Rot. Bonds4

About 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid

3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid (PubChem CID 82056005) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid
PubChem CID82056005
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid
SMILESO=C(O)CCOc1ccc[nH]c1=O
InChIInChI=1S/C8H9NO4/c10-7(11)3-5-13-6-2-1-4-9-8(6)12/h1-2,4H,3,5H2,(H,9,12)(H,10,11)
InChIKeyRPZNLEZIRFGTFJ-UHFFFAOYSA-N
XLogP0.23
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenoxybutoxy)-1H-pyridin-2-one
CID 82056040
2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055987
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-dodecoxy-1H-pyridin-2-one
CID 123606468
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
CID 82056039
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
3-(2-chloro-3-hydroxyphenoxy)propanoic acid
CID 138109800
3-sulfanyloxy-1H-pyridin-2-one
CID 141141178
3-[(1-methyl-2-oxo-3H-benzimidazol-4-yl)oxy]propanoic acid
CID 84699282
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
3-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 82056014

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid?
The IUPAC name of 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid (CID 82056005) is 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid?
The canonical SMILES for 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid is O=C(O)CCOc1ccc[nH]c1=O.
What is the InChIKey of 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid?
The InChIKey is RPZNLEZIRFGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-7(11)3-5-13-6-2-1-4-9-8(6)12/h1-2,4H,3,5H2,(H,9,12)(H,10,11).
What are the key properties of 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid?
3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid has a molecular weight of 183.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid is sourced from PubChem (CID 82056005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).