2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid

C11H15NO3 — CID 20667474

IUPAC2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1cc(C)n(CC(=O)O)c(=O)c1C
InChIInChI=1S/C11H15NO3/c1-4-9-5-7(2)12(6-10(13)14)11(15)8(9)3/h5H,4,6H2,1-3H3,(H,13,14)
InChIKeyFTLSJORNBJONLP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.11
Rot. Bonds3

About 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid

2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 20667474) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID20667474
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1cc(C)n(CC(=O)O)c(=O)c1C
InChIInChI=1S/C11H15NO3/c1-4-9-5-7(2)12(6-10(13)14)11(15)8(9)3/h5H,4,6H2,1-3H3,(H,13,14)
InChIKeyFTLSJORNBJONLP-UHFFFAOYSA-N
XLogP1.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid (CID 20667474) is 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid is CCc1cc(C)n(CC(=O)O)c(=O)c1C.
What is the InChIKey of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is FTLSJORNBJONLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-9-5-7(2)12(6-10(13)14)11(15)8(9)3/h5H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 20667474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).