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

C9H11NO3 — CID 105439233

IUPAC2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H11NO3/c1-9(2,8(12)13)6-4-3-5-7(11)10-6/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyXLSFNZPLMYXMMW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.74
Rot. Bonds2

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

2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid (PubChem CID 105439233) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid
PubChem CID105439233
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H11NO3/c1-9(2,8(12)13)6-4-3-5-7(11)10-6/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyXLSFNZPLMYXMMW-UHFFFAOYSA-N
XLogP0.74
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid (CID 105439233) is 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid is CC(C)(C(=O)O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid?
The InChIKey is XLSFNZPLMYXMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-9(2,8(12)13)6-4-3-5-7(11)10-6/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid?
2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-oxo-1H-pyridin-2-yl)propanoic acid is sourced from PubChem (CID 105439233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).