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

C15H15NO2 — CID 115009382

IUPAC2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
SMILESCC(Cc1cc(-c2ccccc2)ccn1)C(=O)O
InChIInChI=1S/C15H15NO2/c1-11(15(17)18)9-14-10-13(7-8-16-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,17,18)
InChIKeyVHBMLINLLOFHGN-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.01
Rot. Bonds4

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

2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid (PubChem CID 115009382) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
PubChem CID115009382
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
SMILESCC(Cc1cc(-c2ccccc2)ccn1)C(=O)O
InChIInChI=1S/C15H15NO2/c1-11(15(17)18)9-14-10-13(7-8-16-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,17,18)
InChIKeyVHBMLINLLOFHGN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
CID 115009281
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid
CID 83884346
[4-(3-phenylphenyl)-2-pyridinyl]methanamine
CID 177019282
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
2-methyl-1-(4-phenyl-2-pyridinyl)propan-2-amine
CID 115009378
methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate
CID 69154506
4-phenyl-2-propan-2-ylpyridine
CID 59796805
benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate
CID 54022974
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid (CID 115009382) is 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid is CC(Cc1cc(-c2ccccc2)ccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid?
The InChIKey is VHBMLINLLOFHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(15(17)18)9-14-10-13(7-8-16-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid?
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 115009382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).