methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate

C11H16N2O4 — CID 66061767

IUPACmethyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate
SMILESCOC(=O)C(C1CC1)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H16N2O4/c1-6-10(15)12-8(14)5-13(6)9(7-3-4-7)11(16)17-2/h6-7,9H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyPAGWZOFLEHEZRH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.72
Rot. Bonds3

About methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate

methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate (PubChem CID 66061767) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate
PubChem CID66061767
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate
SMILESCOC(=O)C(C1CC1)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C11H16N2O4/c1-6-10(15)12-8(14)5-13(6)9(7-3-4-7)11(16)17-2/h6-7,9H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyPAGWZOFLEHEZRH-UHFFFAOYSA-N
XLogP-0.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate (CID 66061767) is methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate is COC(=O)C(C1CC1)N1CC(=O)NC(=O)C1C.
What is the InChIKey of methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate?
The InChIKey is PAGWZOFLEHEZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-10(15)12-8(14)5-13(6)9(7-3-4-7)11(16)17-2/h6-7,9H,3-5H2,1-2H3,(H,12,14,15).
What are the key properties of methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate?
methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate has a molecular weight of 240.26 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 66061767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).