4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid

C9H9NO4 — CID 579061

IUPAC4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)
InChIKeyOMAJIMAYOJBLJF-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.42
Rot. Bonds4

About 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid

4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid (PubChem CID 579061) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid
PubChem CID579061
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)
InChIKeyOMAJIMAYOJBLJF-UHFFFAOYSA-N
XLogP0.42
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid (CID 579061) is 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid is O=C(O)CCC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid?
The InChIKey is OMAJIMAYOJBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14).
What are the key properties of 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid?
4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid is sourced from PubChem (CID 579061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).