3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid

C17H19NO3 — CID 68961780

IUPAC3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid
SMILESCCC(O)C(C(=O)O)(c1cccnc1)c1ccccc1C
InChIInChI=1S/C17H19NO3/c1-3-15(19)17(16(20)21,13-8-6-10-18-11-13)14-9-5-4-7-12(14)2/h4-11,15,19H,3H2,1-2H3,(H,20,21)
InChIKeyAGCWEVZOBJQVGW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.53
Rot. Bonds5

About 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid

3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid (PubChem CID 68961780) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid
PubChem CID68961780
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid
SMILESCCC(O)C(C(=O)O)(c1cccnc1)c1ccccc1C
InChIInChI=1S/C17H19NO3/c1-3-15(19)17(16(20)21,13-8-6-10-18-11-13)14-9-5-4-7-12(14)2/h4-11,15,19H,3H2,1-2H3,(H,20,21)
InChIKeyAGCWEVZOBJQVGW-UHFFFAOYSA-N
XLogP2.53
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate
CID 54223588
(4-chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766
3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
CID 68961783
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
2-propylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114987629
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
3-ethoxy-2-methylsulfanyl-3-oxo-2-pyridin-3-ylpropanoic acid
CID 70347165
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid?
The IUPAC name of 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid (CID 68961780) is 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid is CCC(O)C(C(=O)O)(c1cccnc1)c1ccccc1C.
What is the InChIKey of 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid?
The InChIKey is AGCWEVZOBJQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-15(19)17(16(20)21,13-8-6-10-18-11-13)14-9-5-4-7-12(14)2/h4-11,15,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid?
3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylphenyl)-2-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 68961780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).