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

C11H15NO3 — CID 130576936

IUPAC2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
SMILESCc1cn(CC(C)(C)C(=O)O)ccc1=O
InChIInChI=1S/C11H15NO3/c1-8-6-12(5-4-9(8)13)7-11(2,3)10(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyDCVLAUGDDCEXGA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.27
Rot. Bonds3

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

2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid (PubChem CID 130576936) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
PubChem CID130576936
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid
SMILESCc1cn(CC(C)(C)C(=O)O)ccc1=O
InChIInChI=1S/C11H15NO3/c1-8-6-12(5-4-9(8)13)7-11(2,3)10(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyDCVLAUGDDCEXGA-UHFFFAOYSA-N
XLogP1.27
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid (CID 130576936) is 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid is Cc1cn(CC(C)(C)C(=O)O)ccc1=O.
What is the InChIKey of 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
The InChIKey is DCVLAUGDDCEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-6-12(5-4-9(8)13)7-11(2,3)10(14)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid?
2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methyl-4-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 130576936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).