[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate

C14H19N3O5 — CID 2370579

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate
SMILESCn1c(N)c(C(=O)COC(=O)C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N3O5/c1-16-11(15)10(12(19)17(2)14(16)21)9(18)7-22-13(20)8-5-3-4-6-8/h8H,3-7,15H2,1-2H3
InChIKeyGTNNWTULKAFJEH-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.42
Rot. Bonds4

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2370579) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2370579
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate
SMILESCn1c(N)c(C(=O)COC(=O)C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N3O5/c1-16-11(15)10(12(19)17(2)14(16)21)9(18)7-22-13(20)8-5-3-4-6-8/h8H,3-7,15H2,1-2H3
InChIKeyGTNNWTULKAFJEH-UHFFFAOYSA-N
XLogP-0.42
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate (CID 2370579) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate is Cn1c(N)c(C(=O)COC(=O)C2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is GTNNWTULKAFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-16-11(15)10(12(19)17(2)14(16)21)9(18)7-22-13(20)8-5-3-4-6-8/h8H,3-7,15H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 309.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2370579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).