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

C7H10N2O4 — CID 45115681

IUPACmethyl 2-(2,3-dioxopiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCNC(=O)C1=O
InChIInChI=1S/C7H10N2O4/c1-13-5(10)4-9-3-2-8-6(11)7(9)12/h2-4H2,1H3,(H,8,11)
InChIKeyVJYQKCNSCKFYCO-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.88
Rot. Bonds2

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

methyl 2-(2,3-dioxopiperazin-1-yl)acetate (PubChem CID 45115681) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 2-(2,3-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dioxopiperazin-1-yl)acetate
PubChem CID45115681
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 2-(2,3-dioxopiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCNC(=O)C1=O
InChIInChI=1S/C7H10N2O4/c1-13-5(10)4-9-3-2-8-6(11)7(9)12/h2-4H2,1H3,(H,8,11)
InChIKeyVJYQKCNSCKFYCO-UHFFFAOYSA-N
XLogP-1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dioxopiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(2,3-dioxopiperazin-1-yl)acetate (CID 45115681) is methyl 2-(2,3-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,3-dioxopiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,3-dioxopiperazin-1-yl)acetate is COC(=O)CN1CCNC(=O)C1=O.
What is the InChIKey of methyl 2-(2,3-dioxopiperazin-1-yl)acetate?
The InChIKey is VJYQKCNSCKFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-13-5(10)4-9-3-2-8-6(11)7(9)12/h2-4H2,1H3,(H,8,11).
What are the key properties of methyl 2-(2,3-dioxopiperazin-1-yl)acetate?
methyl 2-(2,3-dioxopiperazin-1-yl)acetate has a molecular weight of 186.17 g/mol, XLogP of -1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 45115681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).