2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid

C13H16N2O3 — CID 114989853

IUPAC2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccncc1)N1CCCCC1=O
InChIInChI=1S/C13H16N2O3/c1-13(12(17)18,10-5-7-14-8-6-10)15-9-3-2-4-11(15)16/h5-8H,2-4,9H2,1H3,(H,17,18)
InChIKeyBQOIVXKCJAMOIA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid

2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid (PubChem CID 114989853) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
PubChem CID114989853
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccncc1)N1CCCCC1=O
InChIInChI=1S/C13H16N2O3/c1-13(12(17)18,10-5-7-14-8-6-10)15-9-3-2-4-11(15)16/h5-8H,2-4,9H2,1H3,(H,17,18)
InChIKeyBQOIVXKCJAMOIA-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
CID 126987137
2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
CID 61344571
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-(azepan-1-yl)-2-(4-bromophenyl)propanoic acid
CID 61057163
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
2-(2,5-dioxopyrrolidin-1-yl)-2-pyridin-3-ylpropanoic acid
CID 114989812
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
2-(4-methylsulfanylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803548
2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid (CID 114989853) is 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid is CC(C(=O)O)(c1ccncc1)N1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
The InChIKey is BQOIVXKCJAMOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(12(17)18,10-5-7-14-8-6-10)15-9-3-2-4-11(15)16/h5-8H,2-4,9H2,1H3,(H,17,18).
What are the key properties of 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 114989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).