3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid

C11H15NO3 — CID 103174229

IUPAC3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
SMILESCCc1nc(C)ccc1OCCC(=O)O
InChIInChI=1S/C11H15NO3/c1-3-9-10(5-4-8(2)12-9)15-7-6-11(13)14/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZGSIZXMWKAUTSJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.81
Rot. Bonds5

About 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid

3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid (PubChem CID 103174229) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
PubChem CID103174229
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
SMILESCCc1nc(C)ccc1OCCC(=O)O
InChIInChI=1S/C11H15NO3/c1-3-9-10(5-4-8(2)12-9)15-7-6-11(13)14/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZGSIZXMWKAUTSJ-UHFFFAOYSA-N
XLogP1.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 107881290
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
CID 103176066

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid?
The IUPAC name of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid (CID 103174229) is 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid?
The canonical SMILES for 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid is CCc1nc(C)ccc1OCCC(=O)O.
What is the InChIKey of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid?
The InChIKey is ZGSIZXMWKAUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-9-10(5-4-8(2)12-9)15-7-6-11(13)14/h4-5H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid?
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid is sourced from PubChem (CID 103174229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).