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

C13H22N2O4 — CID 20833915

IUPACethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate
SMILESCCCN1C(=O)NC(C)(C(CC)C(=O)OCC)C1=O
InChIInChI=1S/C13H22N2O4/c1-5-8-15-11(17)13(4,14-12(15)18)9(6-2)10(16)19-7-3/h9H,5-8H2,1-4H3,(H,14,18)
InChIKeyXYZXCOILYXXUMM-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.30
Rot. Bonds6

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

ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate (PubChem CID 20833915) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate
PubChem CID20833915
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate
SMILESCCCN1C(=O)NC(C)(C(CC)C(=O)OCC)C1=O
InChIInChI=1S/C13H22N2O4/c1-5-8-15-11(17)13(4,14-12(15)18)9(6-2)10(16)19-7-3/h9H,5-8H2,1-4H3,(H,14,18)
InChIKeyXYZXCOILYXXUMM-UHFFFAOYSA-N
XLogP1.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
alpha,1-Diethyl-2,5-dioxo-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833911
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-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-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate (CID 20833915) is ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate is CCCN1C(=O)NC(C)(C(CC)C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate?
The InChIKey is XYZXCOILYXXUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-8-15-11(17)13(4,14-12(15)18)9(6-2)10(16)19-7-3/h9H,5-8H2,1-4H3,(H,14,18).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate?
ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate has a molecular weight of 270.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl)butanoate is sourced from PubChem (CID 20833915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).