ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate

C11H16N2O5 — CID 15096136

IUPACethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCCCN1C(=O)C(=O)N(CC(=O)OCC)C1=O
InChIInChI=1S/C11H16N2O5/c1-3-5-6-12-9(15)10(16)13(11(12)17)7-8(14)18-4-2/h3-7H2,1-2H3
InChIKeyDIETVDKISHCKFF-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.14
Rot. Bonds6

About ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate

ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate (PubChem CID 15096136) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate
PubChem CID15096136
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Nameethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCCCN1C(=O)C(=O)N(CC(=O)OCC)C1=O
InChIInChI=1S/C11H16N2O5/c1-3-5-6-12-9(15)10(16)13(11(12)17)7-8(14)18-4-2/h3-7H2,1-2H3
InChIKeyDIETVDKISHCKFF-UHFFFAOYSA-N
XLogP0.14
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.14
H-Bond Donors ≤ 50
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 ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate (CID 15096136) is ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate is CCCCN1C(=O)C(=O)N(CC(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The InChIKey is DIETVDKISHCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-5-6-12-9(15)10(16)13(11(12)17)7-8(14)18-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate has a molecular weight of 256.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 15096136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).