3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid

C14H19N3O4 — CID 62217110

IUPAC3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C14H19N3O4/c18-12(10-16-8-3-7-15-14(16)21)17-9-2-1-4-11(17)5-6-13(19)20/h3,7-8,11H,1-2,4-6,9-10H2,(H,19,20)
InChIKeyIUOKYOLGLXYVHS-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.49
Rot. Bonds5

About 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid

3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid (PubChem CID 62217110) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid
PubChem CID62217110
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C14H19N3O4/c18-12(10-16-8-3-7-15-14(16)21)17-9-2-1-4-11(17)5-6-13(19)20/h3,7-8,11H,1-2,4-6,9-10H2,(H,19,20)
InChIKeyIUOKYOLGLXYVHS-UHFFFAOYSA-N
XLogP0.49
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid (CID 62217110) is 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is IUOKYOLGLXYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12(10-16-8-3-7-15-14(16)21)17-9-2-1-4-11(17)5-6-13(19)20/h3,7-8,11H,1-2,4-6,9-10H2,(H,19,20).
What are the key properties of 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid?
3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).