4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid

C17H19NO2 — CID 54055770

IUPAC4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid
SMILESCC(Cc1ccccc1)C(CC(=O)O)c1ccccn1
InChIInChI=1S/C17H19NO2/c1-13(11-14-7-3-2-4-8-14)15(12-17(19)20)16-9-5-6-10-18-16/h2-10,13,15H,11-12H2,1H3,(H,19,20)
InChIKeyLWDGPQFHMATIPM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.52
Rot. Bonds6

About 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid

4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid (PubChem CID 54055770) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid
PubChem CID54055770
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid
SMILESCC(Cc1ccccc1)C(CC(=O)O)c1ccccn1
InChIInChI=1S/C17H19NO2/c1-13(11-14-7-3-2-4-8-14)15(12-17(19)20)16-9-5-6-10-18-16/h2-10,13,15H,11-12H2,1H3,(H,19,20)
InChIKeyLWDGPQFHMATIPM-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
2-pyridin-2-ylbutanedioic acid
CID 67462885
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
4-(diethylamino)-4-oxo-3-pyridin-2-ylbutanoic acid
CID 112516163
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
N-hydroxy-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide
CID 88651666
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid?
The IUPAC name of 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid (CID 54055770) is 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid.
What is the SMILES notation for 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid?
The canonical SMILES for 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid is CC(Cc1ccccc1)C(CC(=O)O)c1ccccn1.
What is the InChIKey of 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid?
The InChIKey is LWDGPQFHMATIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(11-14-7-3-2-4-8-14)15(12-17(19)20)16-9-5-6-10-18-16/h2-10,13,15H,11-12H2,1H3,(H,19,20).
What are the key properties of 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid?
4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 54055770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).