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

C7H8N2O5 — CID 61499840

IUPACmethyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1C(=O)NC(=O)C1=O
InChIInChI=1S/C7H8N2O5/c1-3(6(12)14-2)9-5(11)4(10)8-7(9)13/h3H,1-2H3,(H,8,10,13)
InChIKeyBNASMCCNMWSURY-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.37
Rot. Bonds2

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

methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate (PubChem CID 61499840) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate
PubChem CID61499840
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1C(=O)NC(=O)C1=O
InChIInChI=1S/C7H8N2O5/c1-3(6(12)14-2)9-5(11)4(10)8-7(9)13/h3H,1-2H3,(H,8,10,13)
InChIKeyBNASMCCNMWSURY-UHFFFAOYSA-N
XLogP-1.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.37
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)propanoate?
The IUPAC name of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate (CID 61499840) is methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate is COC(=O)C(C)N1C(=O)NC(=O)C1=O.
What is the InChIKey of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate?
The InChIKey is BNASMCCNMWSURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-3(6(12)14-2)9-5(11)4(10)8-7(9)13/h3H,1-2H3,(H,8,10,13).
What are the key properties of methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate?
methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate has a molecular weight of 200.15 g/mol, XLogP of -1.37, 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)propanoate is sourced from PubChem (CID 61499840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).