ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate

C8H12N2O4 — CID 139727196

IUPACethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-2-14-7(12)3-4-10-5-6(11)9-8(10)13/h2-5H2,1H3,(H,9,11,13)
InChIKeyGWQVBIFLRYMKOJ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.51
Rot. Bonds4

About ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate

ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate (PubChem CID 139727196) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate
PubChem CID139727196
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-2-14-7(12)3-4-10-5-6(11)9-8(10)13/h2-5H2,1H3,(H,9,11,13)
InChIKeyGWQVBIFLRYMKOJ-UHFFFAOYSA-N
XLogP-0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
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 ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate (CID 139727196) is ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate is CCOC(=O)CCN1CC(=O)NC1=O.
What is the InChIKey of ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is GWQVBIFLRYMKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-14-7(12)3-4-10-5-6(11)9-8(10)13/h2-5H2,1H3,(H,9,11,13).
What are the key properties of ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate?
ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 200.19 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 139727196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).