3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid

C17H19NO3 — CID 68961783

IUPAC3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
SMILESCCC(C)(O)C(C(=O)O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H19NO3/c1-3-16(2,21)17(15(19)20,13-8-5-4-6-9-13)14-10-7-11-18-12-14/h4-12,21H,3H2,1-2H3,(H,19,20)
InChIKeyPZACHKLWMBHMTP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.61
Rot. Bonds5

About 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid

3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid (PubChem CID 68961783) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
PubChem CID68961783
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
SMILESCCC(C)(O)C(C(=O)O)(c1ccccc1)c1cccnc1
InChIInChI=1S/C17H19NO3/c1-3-16(2,21)17(15(19)20,13-8-5-4-6-9-13)14-10-7-11-18-12-14/h4-12,21H,3H2,1-2H3,(H,19,20)
InChIKeyPZACHKLWMBHMTP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2-propylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114987629
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992470
[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid
CID 57425667
2-butylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114994633
2-methyl-2-(N-pyridin-3-ylanilino)butanoic acid
CID 68858029
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid (CID 68961783) is 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid is CCC(C)(O)C(C(=O)O)(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid?
The InChIKey is PZACHKLWMBHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-16(2,21)17(15(19)20,13-8-5-4-6-9-13)14-10-7-11-18-12-14/h4-12,21H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid?
3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 68961783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).