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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Related Compounds

methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
CID 4045724
methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 78414890
methyl 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)acetate
CID 7353834
methyl 2-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)acetate
CID 11368729
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219
methyl 2-(2,3-dioxopiperazin-1-yl)acetate
CID 45115681
methyl 2-[(4E)-4-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6045873
methyl 2-[(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490231
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
methyl 2-[(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490196

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).