2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid

C9H11NO3 — CID 62880826

IUPAC2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid
SMILESCC(Cn1ccc(=O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-7(9(12)13)6-10-4-2-8(11)3-5-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyUQINJQXQVZKRDU-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid

2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid (PubChem CID 62880826) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid
PubChem CID62880826
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid
SMILESCC(Cn1ccc(=O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-7(9(12)13)6-10-4-2-8(11)3-5-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyUQINJQXQVZKRDU-UHFFFAOYSA-N
XLogP0.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid (CID 62880826) is 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid is CC(Cn1ccc(=O)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid?
The InChIKey is UQINJQXQVZKRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7(9(12)13)6-10-4-2-8(11)3-5-10/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid?
2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 62880826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).