methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate

C11H15NO3 — CID 79629550

IUPACmethyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(C)(C)Cn1ccccc1=O
InChIInChI=1S/C11H15NO3/c1-11(2,10(14)15-3)8-12-7-5-4-6-9(12)13/h4-7H,8H2,1-3H3
InChIKeyWEGLTNRFYDACPS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.05
Rot. Bonds3

About methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate

methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate (PubChem CID 79629550) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate
PubChem CID79629550
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate
SMILESCOC(=O)C(C)(C)Cn1ccccc1=O
InChIInChI=1S/C11H15NO3/c1-11(2,10(14)15-3)8-12-7-5-4-6-9(12)13/h4-7H,8H2,1-3H3
InChIKeyWEGLTNRFYDACPS-UHFFFAOYSA-N
XLogP1.05
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate (CID 79629550) is methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate is COC(=O)C(C)(C)Cn1ccccc1=O.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate?
The InChIKey is WEGLTNRFYDACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,10(14)15-3)8-12-7-5-4-6-9(12)13/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate?
methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 79629550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).