2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid

C14H19N3O4 — CID 62092342

IUPAC2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2CCCNC2=O)c(C)c1C(C)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-7(13(19)20)11-8(2)16-14(21)17(9(11)3)10-5-4-6-15-12(10)18/h7,10H,4-6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyWCOMFHYOARPZHC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.50
Rot. Bonds3

About 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid

2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 62092342) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
PubChem CID62092342
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2CCCNC2=O)c(C)c1C(C)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-7(13(19)20)11-8(2)16-14(21)17(9(11)3)10-5-4-6-15-12(10)18/h7,10H,4-6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyWCOMFHYOARPZHC-UHFFFAOYSA-N
XLogP0.50
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid (CID 62092342) is 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(C2CCCNC2=O)c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is WCOMFHYOARPZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7(13(19)20)11-8(2)16-14(21)17(9(11)3)10-5-4-6-15-12(10)18/h7,10H,4-6H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 62092342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).