2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid

C16H17NO3 — CID 106505340

IUPAC2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2cccc(C)c2)C(=O)O)nc1
InChIInChI=1S/C16H17NO3/c1-11-4-3-5-12(8-11)9-14(16(18)19)15-7-6-13(20-2)10-17-15/h3-8,10,14H,9H2,1-2H3,(H,18,19)
InChIKeyXNECCSJMXXVUQL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.81
Rot. Bonds5

About 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid

2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid (PubChem CID 106505340) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
PubChem CID106505340
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2cccc(C)c2)C(=O)O)nc1
InChIInChI=1S/C16H17NO3/c1-11-4-3-5-12(8-11)9-14(16(18)19)15-7-6-13(20-2)10-17-15/h3-8,10,14H,9H2,1-2H3,(H,18,19)
InChIKeyXNECCSJMXXVUQL-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
CID 106550843
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647
3-(3-methoxyphenyl)-2-(6-methylpyridazin-3-yl)propanoic acid
CID 104572407
2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
CID 104572640
3-(3-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104572433
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
CID 106505344
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
3-(3-methylphenyl)-2-(4-nitro-2-pyridinyl)propanoic acid
CID 104572614
3-(4-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573075

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid (CID 106505340) is 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid is COc1ccc(C(Cc2cccc(C)c2)C(=O)O)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid?
The InChIKey is XNECCSJMXXVUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-4-3-5-12(8-11)9-14(16(18)19)15-7-6-13(20-2)10-17-15/h3-8,10,14H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid?
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 106505340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).