3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid

C8H9NO4 — CID 10261770

IUPAC3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid
SMILESO=C(O)CCn1cccc(O)c1=O
InChIInChI=1S/C8H9NO4/c10-6-2-1-4-9(8(6)13)5-3-7(11)12/h1-2,4,10H,3,5H2,(H,11,12)
InChIKeyCXWMOVBTGQUVHZ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.03
Rot. Bonds3

About 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid

3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 10261770) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid
PubChem CID10261770
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid
SMILESO=C(O)CCn1cccc(O)c1=O
InChIInChI=1S/C8H9NO4/c10-6-2-1-4-9(8(6)13)5-3-7(11)12/h1-2,4,10H,3,5H2,(H,11,12)
InChIKeyCXWMOVBTGQUVHZ-UHFFFAOYSA-N
XLogP0.03
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid (CID 10261770) is 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid is O=C(O)CCn1cccc(O)c1=O.
What is the InChIKey of 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is CXWMOVBTGQUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-6-2-1-4-9(8(6)13)5-3-7(11)12/h1-2,4,10H,3,5H2,(H,11,12).
What are the key properties of 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid?
3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 183.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 10261770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).