3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid

C14H21N3O3 — CID 66331726

IUPAC3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCOc1ncnc(N2CCC(CCC(=O)O)CC2)c1C
InChIInChI=1S/C14H21N3O3/c1-10-13(15-9-16-14(10)20-2)17-7-5-11(6-8-17)3-4-12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyUBDBYTASZCIGMH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds5

About 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid

3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 66331726) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID66331726
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCOc1ncnc(N2CCC(CCC(=O)O)CC2)c1C
InChIInChI=1S/C14H21N3O3/c1-10-13(15-9-16-14(10)20-2)17-7-5-11(6-8-17)3-4-12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyUBDBYTASZCIGMH-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid (CID 66331726) is 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid is COc1ncnc(N2CCC(CCC(=O)O)CC2)c1C.
What is the InChIKey of 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is UBDBYTASZCIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-13(15-9-16-14(10)20-2)17-7-5-11(6-8-17)3-4-12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 66331726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).