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

C13H18N2O4 — CID 24839035

IUPACethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate
SMILESC#CCN1C(=O)NC(C)(C(CC)C(=O)OCC)C1=O
InChIInChI=1S/C13H18N2O4/c1-5-8-15-11(17)13(4,14-12(15)18)9(6-2)10(16)19-7-3/h1,9H,6-8H2,2-4H3,(H,14,18)
InChIKeyMJNIHZPPHXINCD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.52
Rot. Bonds5

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

ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate (PubChem CID 24839035) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate
PubChem CID24839035
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate
SMILESC#CCN1C(=O)NC(C)(C(CC)C(=O)OCC)C1=O
InChIInChI=1S/C13H18N2O4/c1-5-8-15-11(17)13(4,14-12(15)18)9(6-2)10(16)19-7-3/h1,9H,6-8H2,2-4H3,(H,14,18)
InChIKeyMJNIHZPPHXINCD-UHFFFAOYSA-N
XLogP0.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
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-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-4-methyl-alpha-(2-propynyl)-4-imidazolidineacetic acid ethyl ester
CID 24839036
Ethyl 2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)acetate
CID 89569469
Ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate
CID 118359354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate (CID 24839035) is ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate is C#CCN1C(=O)NC(C)(C(CC)C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate?
The InChIKey is MJNIHZPPHXINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-8-15-11(17)13(4,14-12(15)18)9(6-2)10(16)19-7-3/h1,9H,6-8H2,2-4H3,(H,14,18).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate?
ethyl 2-(4-methyl-2,5-dioxo-1-prop-2-ynylimidazolidin-4-yl)butanoate has a molecular weight of 266.30 g/mol, XLogP of 0.52, 5 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-prop-2-ynylimidazolidin-4-yl)butanoate is sourced from PubChem (CID 24839035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).