3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid

C16H17NO3 — CID 104572423

IUPAC3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccncc2C)c1
InChIInChI=1S/C16H17NO3/c1-11-10-17-7-6-14(11)15(16(18)19)9-12-4-3-5-13(8-12)20-2/h3-8,10,15H,9H2,1-2H3,(H,18,19)
InChIKeyUUTHRRWPQDIGTA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.81
Rot. Bonds5

About 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid

3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid (PubChem CID 104572423) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
PubChem CID104572423
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2ccncc2C)c1
InChIInChI=1S/C16H17NO3/c1-11-10-17-7-6-14(11)15(16(18)19)9-12-4-3-5-13(8-12)20-2/h3-8,10,15H,9H2,1-2H3,(H,18,19)
InChIKeyUUTHRRWPQDIGTA-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

2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
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-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83956081
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
CID 106550843
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
3-(3-methoxyphenyl)-2-(6-methylpyridazin-3-yl)propanoic acid
CID 104572407
3-(3-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104572433
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid (CID 104572423) is 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid is COc1cccc(CC(C(=O)O)c2ccncc2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid?
The InChIKey is UUTHRRWPQDIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-10-17-7-6-14(11)15(16(18)19)9-12-4-3-5-13(8-12)20-2/h3-8,10,15H,9H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid?
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)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 3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 104572423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).