2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid

C10H11NO5 — CID 70025035

IUPAC2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid
SMILESCC(=O)c1c(O)cc(C(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C10H11NO5/c1-4(10(15)16)6-3-7(13)8(5(2)12)9(14)11-6/h3-4H,1-2H3,(H,15,16)(H2,11,13,14)
InChIKeyVJNHCGSDOKQWLA-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.47
Rot. Bonds3

About 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid

2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid (PubChem CID 70025035) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid
PubChem CID70025035
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid
SMILESCC(=O)c1c(O)cc(C(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C10H11NO5/c1-4(10(15)16)6-3-7(13)8(5(2)12)9(14)11-6/h3-4H,1-2H3,(H,15,16)(H2,11,13,14)
InChIKeyVJNHCGSDOKQWLA-UHFFFAOYSA-N
XLogP0.47
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid?
The IUPAC name of 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid (CID 70025035) is 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid?
The canonical SMILES for 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid is CC(=O)c1c(O)cc(C(C)C(=O)O)[nH]c1=O.
What is the InChIKey of 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid?
The InChIKey is VJNHCGSDOKQWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-4(10(15)16)6-3-7(13)8(5(2)12)9(14)11-6/h3-4H,1-2H3,(H,15,16)(H2,11,13,14).
What are the key properties of 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid?
2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-4-hydroxy-6-oxo-1H-pyridin-2-yl)propanoic acid is sourced from PubChem (CID 70025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).