3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid

C15H15NO3 — CID 79424872

IUPAC3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H15NO3/c1-19-14-9-5-8-12(16-14)10-13(15(17)18)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,17,18)
InChIKeyAXEYDSYAACOCCL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.50
Rot. Bonds5

About 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid

3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid (PubChem CID 79424872) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
PubChem CID79424872
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H15NO3/c1-19-14-9-5-8-12(16-14)10-13(15(17)18)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,17,18)
InChIKeyAXEYDSYAACOCCL-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-2-pyridinyl)-N-methyl-1-phenylethanamine
CID 63586131
3-(6-methoxy-2-pyridinyl)-1-phenylpropan-1-ol
CID 79423728
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid
CID 113440531
2-(aminomethyl)-3-(6-methoxy-2-pyridinyl)propanamide
CID 103347793
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
CID 63984337
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 63588562
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid (CID 79424872) is 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid is COc1cccc(CC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid?
The InChIKey is AXEYDSYAACOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-9-5-8-12(16-14)10-13(15(17)18)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,17,18).
What are the key properties of 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid?
3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 79424872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).