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

C14H20N2O3 — CID 39151137

IUPAC3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCC(=O)O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-11-4-7-15(8-5-11)12-2-3-13(17)16(10-12)9-6-14(18)19/h2-3,10-11H,4-9H2,1H3,(H,18,19)
InChIKeyZKGJVXSDLRSIOC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.56
Rot. Bonds4

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

3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 39151137) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID39151137
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCC(=O)O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-11-4-7-15(8-5-11)12-2-3-13(17)16(10-12)9-6-14(18)19/h2-3,10-11H,4-9H2,1H3,(H,18,19)
InChIKeyZKGJVXSDLRSIOC-UHFFFAOYSA-N
XLogP1.56
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid (CID 39151137) is 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid is CC1CCN(c2ccc(=O)n(CCC(=O)O)c2)CC1.
What is the InChIKey of 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is ZKGJVXSDLRSIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-4-7-15(8-5-11)12-2-3-13(17)16(10-12)9-6-14(18)19/h2-3,10-11H,4-9H2,1H3,(H,18,19).
What are the key properties of 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid?
3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 39151137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).