methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

C6H6N2O5 — CID 43153893

IUPACmethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C6H6N2O5/c1-13-3(9)2-8-5(11)4(10)7-6(8)12/h2H2,1H3,(H,7,10,12)
InChIKeyGZDYIEDKARBUIT-UHFFFAOYSA-N
MW186.12 g/mol
LogP-1.76
Rot. Bonds2

About methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate (PubChem CID 43153893) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
PubChem CID43153893
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Namemethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)NC(=O)C1=O
InChIInChI=1S/C6H6N2O5/c1-13-3(9)2-8-5(11)4(10)7-6(8)12/h2H2,1H3,(H,7,10,12)
InChIKeyGZDYIEDKARBUIT-UHFFFAOYSA-N
XLogP-1.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
The IUPAC name of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate (CID 43153893) is methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate is COC(=O)CN1C(=O)NC(=O)C1=O.
What is the InChIKey of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
The InChIKey is GZDYIEDKARBUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c1-13-3(9)2-8-5(11)4(10)7-6(8)12/h2H2,1H3,(H,7,10,12).
What are the key properties of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate?
methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate has a molecular weight of 186.12 g/mol, XLogP of -1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 43153893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).