2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid

C16H24N2O3 — CID 39151144

IUPAC2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
SMILESCC1CCN(c2ccc(=O)n(CC(C)(C)C(=O)O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-12-6-8-17(9-7-12)13-4-5-14(19)18(10-13)11-16(2,3)15(20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyHBKNNPIOPDVNMR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.20
Rot. Bonds4

About 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid

2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 39151144) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID39151144
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
SMILESCC1CCN(c2ccc(=O)n(CC(C)(C)C(=O)O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-12-6-8-17(9-7-12)13-4-5-14(19)18(10-13)11-16(2,3)15(20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyHBKNNPIOPDVNMR-UHFFFAOYSA-N
XLogP2.20
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid (CID 39151144) is 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid is CC1CCN(c2ccc(=O)n(CC(C)(C)C(=O)O)c2)CC1.
What is the InChIKey of 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is HBKNNPIOPDVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-6-8-17(9-7-12)13-4-5-14(19)18(10-13)11-16(2,3)15(20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,21).
What are the key properties of 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 39151144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).