2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid

C9H11NO3 — CID 82143352

IUPAC2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1ccc(=O)n(C(C)C(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(11)10(5-6)7(2)9(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyKMOVYIUDAONPBW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.80
Rot. Bonds2

About 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid

2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 82143352) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid
PubChem CID82143352
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1ccc(=O)n(C(C)C(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(11)10(5-6)7(2)9(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyKMOVYIUDAONPBW-UHFFFAOYSA-N
XLogP0.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid (CID 82143352) is 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid is Cc1ccc(=O)n(C(C)C(=O)O)c1.
What is the InChIKey of 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is KMOVYIUDAONPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-8(11)10(5-6)7(2)9(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid?
2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 82143352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).