ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

C13H20N2O4 — CID 90770301

IUPACethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)C(CC1CC1)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H20N2O4/c1-4-19-10(16)9(7-8-5-6-8)15-11(17)13(2,3)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,18)
InChIKeyOEMNROJMWGFKMI-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.05
Rot. Bonds5

About ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 90770301) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID90770301
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)C(CC1CC1)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H20N2O4/c1-4-19-10(16)9(7-8-5-6-8)15-11(17)13(2,3)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,18)
InChIKeyOEMNROJMWGFKMI-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.05
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-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 90770301) is ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is CCOC(=O)C(CC1CC1)N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is OEMNROJMWGFKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-19-10(16)9(7-8-5-6-8)15-11(17)13(2,3)14-12(15)18/h8-9H,4-7H2,1-3H3,(H,14,18).
What are the key properties of ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 90770301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).