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

C18H21NO3 — CID 82453060

IUPAC3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
SMILESCCCOc1cccc(-c2ccc(CCC(=O)O)c(C)n2)c1
InChIInChI=1S/C18H21NO3/c1-3-11-22-16-6-4-5-15(12-16)17-9-7-14(13(2)19-17)8-10-18(20)21/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,20,21)
InChIKeyAWELKSAAIPPYPZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.86
Rot. Bonds7

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

3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid (PubChem CID 82453060) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
PubChem CID82453060
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
SMILESCCCOc1cccc(-c2ccc(CCC(=O)O)c(C)n2)c1
InChIInChI=1S/C18H21NO3/c1-3-11-22-16-6-4-5-15(12-16)17-9-7-14(13(2)19-17)8-10-18(20)21/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,20,21)
InChIKeyAWELKSAAIPPYPZ-UHFFFAOYSA-N
XLogP3.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
CID 82452448
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
[6-(3-butoxyphenyl)-2-methyl-3-pyridinyl]methanethiol
CID 82453094
3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
CID 82445963
3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82453435
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883
3-[3-[(3-propoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044223
4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842346
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid (CID 82453060) is 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid is CCCOc1cccc(-c2ccc(CCC(=O)O)c(C)n2)c1.
What is the InChIKey of 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid?
The InChIKey is AWELKSAAIPPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-11-22-16-6-4-5-15(12-16)17-9-7-14(13(2)19-17)8-10-18(20)21/h4-7,9,12H,3,8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid?
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 82453060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).