methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate

C6H8N2O4 — CID 5296047

IUPACmethyl 2-(2,5-dioxoimidazolidin-4-yl)acetate
SMILESCOC(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-12-4(9)2-3-5(10)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,10,11)
InChIKeyAKRQTHKSKXPEHD-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.24
Rot. Bonds2

About methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate

methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate (PubChem CID 5296047) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxoimidazolidin-4-yl)acetate
PubChem CID5296047
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Namemethyl 2-(2,5-dioxoimidazolidin-4-yl)acetate
SMILESCOC(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-12-4(9)2-3-5(10)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,10,11)
InChIKeyAKRQTHKSKXPEHD-UHFFFAOYSA-N
XLogP-1.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate?
The IUPAC name of methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate (CID 5296047) is methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate is COC(=O)CC1NC(=O)NC1=O.
What is the InChIKey of methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate?
The InChIKey is AKRQTHKSKXPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-12-4(9)2-3-5(10)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,10,11).
What are the key properties of methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate?
methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate has a molecular weight of 172.14 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxoimidazolidin-4-yl)acetate is sourced from PubChem (CID 5296047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).