[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C17H23N3O5 — CID 5061304

About [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 5061304) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

• Compound Name: [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
• PubChem CID: 5061304
• Molecular Formula: C17H23N3O5
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.16
• IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
• SMILES: Cn1c(NC(=O)COC(=O)CC2CC3CCC2C3)cc(=O)n(C)c1=O
• InChI: InChI=1S/C17H23N3O5/c1-19-13(8-15(22)20(2)17(19)24)18-14(21)9-25-16(23)7-12-6-10-3-4-11(12)5-10/h8,10-12H,3-7,9H2,1-2H3,(H,18,21)
• InChIKey: RUDAWADHSMFBQS-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 99.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?

The IUPAC name of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 5061304) is [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

What is the SMILES notation for [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?

The canonical SMILES for [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is Cn1c(NC(=O)COC(=O)CC2CC3CCC2C3)cc(=O)n(C)c1=O.

What is the InChIKey of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?

The InChIKey is RUDAWADHSMFBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-19-13(8-15(22)20(2)17(19)24)18-14(21)9-25-16(23)7-12-6-10-3-4-11(12)5-10/h8,10-12H,3-7,9H2,1-2H3,(H,18,21).

What are the key properties of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?

[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 349.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 5061304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).