2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid

C11H15NO3 — CID 22949189

IUPAC2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1c(C)c(C)n(CC(=O)O)c(=O)c1C
InChIInChI=1S/C11H15NO3/c1-6-7(2)9(4)12(5-10(13)14)11(15)8(6)3/h5H2,1-4H3,(H,13,14)
InChIKeyZWKMUPLFQYOHFR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.17
Rot. Bonds2

About 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid

2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid (PubChem CID 22949189) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid
PubChem CID22949189
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1c(C)c(C)n(CC(=O)O)c(=O)c1C
InChIInChI=1S/C11H15NO3/c1-6-7(2)9(4)12(5-10(13)14)11(15)8(6)3/h5H2,1-4H3,(H,13,14)
InChIKeyZWKMUPLFQYOHFR-UHFFFAOYSA-N
XLogP1.17
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid (CID 22949189) is 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid is Cc1c(C)c(C)n(CC(=O)O)c(=O)c1C.
What is the InChIKey of 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid?
The InChIKey is ZWKMUPLFQYOHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-7(2)9(4)12(5-10(13)14)11(15)8(6)3/h5H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid?
2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethyl-6-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 22949189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).