2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid

C12H17N3O2 — CID 83896634

IUPAC2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H17N3O2/c1-9(11(16)17)10-7-13-12(14-8-10)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyCGMGEGSSYRWFAU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid

2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid (PubChem CID 83896634) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
PubChem CID83896634
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
SMILESCC(C(=O)O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H17N3O2/c1-9(11(16)17)10-7-13-12(14-8-10)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyCGMGEGSSYRWFAU-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid (CID 83896634) is 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid is CC(C(=O)O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
The InChIKey is CGMGEGSSYRWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(11(16)17)10-7-13-12(14-8-10)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid?
2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 83896634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).