2,2-bis(pyridin-2-ylmethyl)pentanoic acid

C17H20N2O2 — CID 67287771

IUPAC2,2-bis(pyridin-2-ylmethyl)pentanoic acid
SMILESCCCC(Cc1ccccn1)(Cc1ccccn1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-9-17(16(20)21,12-14-7-3-5-10-18-14)13-15-8-4-6-11-19-15/h3-8,10-11H,2,9,12-13H2,1H3,(H,20,21)
InChIKeyJXURXISBRKUADG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.13
Rot. Bonds7

About 2,2-bis(pyridin-2-ylmethyl)pentanoic acid

2,2-bis(pyridin-2-ylmethyl)pentanoic acid (PubChem CID 67287771) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,2-bis(pyridin-2-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2,2-bis(pyridin-2-ylmethyl)pentanoic acid
PubChem CID67287771
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,2-bis(pyridin-2-ylmethyl)pentanoic acid
SMILESCCCC(Cc1ccccn1)(Cc1ccccn1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-9-17(16(20)21,12-14-7-3-5-10-18-14)13-15-8-4-6-11-19-15/h3-8,10-11H,2,9,12-13H2,1H3,(H,20,21)
InChIKeyJXURXISBRKUADG-UHFFFAOYSA-N
XLogP3.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
CID 79426104
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetic acid;2-ethylpyridine
CID 70072313
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
CID 81223611
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
2-ethyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 115430878
2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
CID 19084753
pyridin-2-ylmethyl 2,2-dimethylpentanoate
CID 3053080
2,2-dimethyl-1-pyridin-2-yloctan-3-one
CID 143251368
butanoic acid;pyridin-2-ylmethanol
CID 21117383
2-methyl-3-oxo-2-(pyridin-2-ylmethyl)butanenitrile
CID 130514083

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(pyridin-2-ylmethyl)pentanoic acid?
The IUPAC name of 2,2-bis(pyridin-2-ylmethyl)pentanoic acid (CID 67287771) is 2,2-bis(pyridin-2-ylmethyl)pentanoic acid.
What is the SMILES notation for 2,2-bis(pyridin-2-ylmethyl)pentanoic acid?
The canonical SMILES for 2,2-bis(pyridin-2-ylmethyl)pentanoic acid is CCCC(Cc1ccccn1)(Cc1ccccn1)C(=O)O.
What is the InChIKey of 2,2-bis(pyridin-2-ylmethyl)pentanoic acid?
The InChIKey is JXURXISBRKUADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-9-17(16(20)21,12-14-7-3-5-10-18-14)13-15-8-4-6-11-19-15/h3-8,10-11H,2,9,12-13H2,1H3,(H,20,21).
What are the key properties of 2,2-bis(pyridin-2-ylmethyl)pentanoic acid?
2,2-bis(pyridin-2-ylmethyl)pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(pyridin-2-ylmethyl)pentanoic acid is sourced from PubChem (CID 67287771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).