methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate

C7H10N2O4 — CID 86116604

IUPACmethyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate
SMILESCOC(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c1-13-5(10)3-2-4-6(11)9-7(12)8-4/h4H,2-3H2,1H3,(H2,8,9,11,12)
InChIKeyVIPBMUWYGGKOOO-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.85
Rot. Bonds3

About methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate

methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate (PubChem CID 86116604) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate
PubChem CID86116604
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate
SMILESCOC(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c1-13-5(10)3-2-4-6(11)9-7(12)8-4/h4H,2-3H2,1H3,(H2,8,9,11,12)
InChIKeyVIPBMUWYGGKOOO-UHFFFAOYSA-N
XLogP-0.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.85
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 3-(2,5-dioxoimidazolidin-4-yl)propanoate?
The IUPAC name of methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate (CID 86116604) is methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate?
The canonical SMILES for methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate is COC(=O)CCC1NC(=O)NC1=O.
What is the InChIKey of methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate?
The InChIKey is VIPBMUWYGGKOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-13-5(10)3-2-4-6(11)9-7(12)8-4/h4H,2-3H2,1H3,(H2,8,9,11,12).
What are the key properties of methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate?
methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate has a molecular weight of 186.17 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate is sourced from PubChem (CID 86116604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).