ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate

C12H20N2O4 — CID 20833911

IUPACethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CC)C1=O
InChIInChI=1S/C12H20N2O4/c1-5-8(9(15)18-7-3)12(4)10(16)14(6-2)11(17)13-12/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyGKEFKTHRJKJZKF-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.91
Rot. Bonds5

About ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate

ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate (PubChem CID 20833911) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
PubChem CID20833911
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CC)C1=O
InChIInChI=1S/C12H20N2O4/c1-5-8(9(15)18-7-3)12(4)10(16)14(6-2)11(17)13-12/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyGKEFKTHRJKJZKF-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Acetonyl-2,5-dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833905
1-Allyl-2,5-dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833906
1,4-Dimethyl-2,5-dioxo-alpha-ethyl-4-imidazolidineacetic acid ethyl ester
CID 20833912
2,5-Dioxo-alpha-ethyl-1-(2-hydroxyethyl)-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833913
2,5-Dioxo-alpha-ethyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833914
2,5-Dioxo-alpha-ethyl-4-methyl-1-propyl-4-imidazolidineacetic acid ethyl ester
CID 20833915
2,5-Dioxo-alpha-isopropyl-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833916
2,5-Dioxo-4-methyl-alpha-propyl-4-imidazolidineacetic acid ethyl ester
CID 20833918
2,5-Dioxo-alpha-ethyl-4-methyl-1-(2-propynyl)-4-imidazolidineacetic acid ethyl ester
CID 24839035
2,5-Dioxo-4-methyl-alpha-(2-propynyl)-4-imidazolidineacetic acid ethyl ester
CID 24839036
2,5-Dioxo-alpha-ethyl-4-methyl-1,4-imidazolidinediacetic acid ethyl ester
CID 24839037
Pentan-2-yl 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetate
CID 162594511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The IUPAC name of ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate (CID 20833911) is ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate is CCOC(=O)C(CC)C1(C)NC(=O)N(CC)C1=O.
What is the InChIKey of ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The InChIKey is GKEFKTHRJKJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-8(9(15)18-7-3)12(4)10(16)14(6-2)11(17)13-12/h8H,5-7H2,1-4H3,(H,13,17).
What are the key properties of ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate has a molecular weight of 256.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate is sourced from PubChem (CID 20833911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).