3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid

C15H15NO3 — CID 117241497

IUPAC3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
SMILESCc1cccc(OCC(C(=O)O)c2ccccn2)c1
InChIInChI=1S/C15H15NO3/c1-11-5-4-6-12(9-11)19-10-13(15(17)18)14-7-2-3-8-16-14/h2-9,13H,10H2,1H3,(H,17,18)
InChIKeyPKHHGWLSHUSHEA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.64
Rot. Bonds5

About 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid

3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid (PubChem CID 117241497) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
PubChem CID117241497
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
SMILESCc1cccc(OCC(C(=O)O)c2ccccn2)c1
InChIInChI=1S/C15H15NO3/c1-11-5-4-6-12(9-11)19-10-13(15(17)18)14-7-2-3-8-16-14/h2-9,13H,10H2,1H3,(H,17,18)
InChIKeyPKHHGWLSHUSHEA-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(3-methylphenoxy)-1-pyridin-2-ylethanol
CID 129362885
3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241514
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
2-benzyl-3-(3-methylphenoxy)propanoic acid
CID 117241645
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
4,4-dimethyl-2-[(3-methylphenoxy)methyl]pentanoic acid
CID 117242159
4-hydroxy-2-pyridin-2-ylpentanoic acid
CID 24976010
2-pyridin-2-ylbutanedioic acid
CID 67462885
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
CID 82136641
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid (CID 117241497) is 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid is Cc1cccc(OCC(C(=O)O)c2ccccn2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid?
The InChIKey is PKHHGWLSHUSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-5-4-6-12(9-11)19-10-13(15(17)18)14-7-2-3-8-16-14/h2-9,13H,10H2,1H3,(H,17,18).
What are the key properties of 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid?
3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 117241497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).