3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid

C15H15NO2 — CID 82452448

IUPAC3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
SMILESCc1nc(-c2ccccc2)ccc1CCC(=O)O
InChIInChI=1S/C15H15NO2/c1-11-12(8-10-15(17)18)7-9-14(16-11)13-5-3-2-4-6-13/h2-7,9H,8,10H2,1H3,(H,17,18)
InChIKeyUFRNEGPQYOFCJI-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.07
Rot. Bonds4

About 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid

3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid (PubChem CID 82452448) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
PubChem CID82452448
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid
SMILESCc1nc(-c2ccccc2)ccc1CCC(=O)O
InChIInChI=1S/C15H15NO2/c1-11-12(8-10-15(17)18)7-9-14(16-11)13-5-3-2-4-6-13/h2-7,9H,8,10H2,1H3,(H,17,18)
InChIKeyUFRNEGPQYOFCJI-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid (CID 82452448) is 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid is Cc1nc(-c2ccccc2)ccc1CCC(=O)O.
What is the InChIKey of 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid?
The InChIKey is UFRNEGPQYOFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-12(8-10-15(17)18)7-9-14(16-11)13-5-3-2-4-6-13/h2-7,9H,8,10H2,1H3,(H,17,18).
What are the key properties of 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid?
3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-phenyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82452448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).