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

C14H19N3O4 — CID 62092340

IUPAC3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2CCCNC2=O)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-10(5-6-12(18)19)9(2)17(14(21)16-8)11-4-3-7-15-13(11)20/h11H,3-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyMWNCUASKAUISON-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.33
Rot. Bonds4

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

3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 62092340) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
PubChem CID62092340
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2CCCNC2=O)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-10(5-6-12(18)19)9(2)17(14(21)16-8)11-4-3-7-15-13(11)20/h11H,3-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyMWNCUASKAUISON-UHFFFAOYSA-N
XLogP0.33
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid (CID 62092340) is 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(C2CCCNC2=O)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is MWNCUASKAUISON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-10(5-6-12(18)19)9(2)17(14(21)16-8)11-4-3-7-15-13(11)20/h11H,3-7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid?
3-[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 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-oxo-1-(2-oxopiperidin-3-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 62092340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).