ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate

C12H18N2O5 — CID 95357591

IUPACethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
SMILESCCOC(=O)CC(=O)CN1C(=O)N[C@@](C)(CC)C1=O
InChIInChI=1S/C12H18N2O5/c1-4-12(3)10(17)14(11(18)13-12)7-8(15)6-9(16)19-5-2/h4-7H2,1-3H3,(H,13,18)/t12-/m0/s1
InChIKeyHKWBEVUYSOHGSM-LBPRGKRZSA-N
MW270.28 g/mol
LogP0.23
Rot. Bonds6

About ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate

ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate (PubChem CID 95357591) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
PubChem CID95357591
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
SMILESCCOC(=O)CC(=O)CN1C(=O)N[C@@](C)(CC)C1=O
InChIInChI=1S/C12H18N2O5/c1-4-12(3)10(17)14(11(18)13-12)7-8(15)6-9(16)19-5-2/h4-7H2,1-3H3,(H,13,18)/t12-/m0/s1
InChIKeyHKWBEVUYSOHGSM-LBPRGKRZSA-N
XLogP0.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate 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

methyl 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60636188
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
ethyl 4-[[2-[2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]oxyacetyl]amino]benzoate
CID 7794040
ethyl 5-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7916666
[2-(1-adamantyl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793347
N-cyclopentyloxy-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 83236618
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793913
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957719
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 115362807
N-(3,5-dimethylphenyl)-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2117004
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793638

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate?
The IUPAC name of ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate (CID 95357591) is ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate.
What is the SMILES notation for ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate?
The canonical SMILES for ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate is CCOC(=O)CC(=O)CN1C(=O)N[C@@](C)(CC)C1=O.
What is the InChIKey of ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate?
The InChIKey is HKWBEVUYSOHGSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-12(3)10(17)14(11(18)13-12)7-8(15)6-9(16)19-5-2/h4-7H2,1-3H3,(H,13,18)/t12-/m0/s1.
What are the key properties of ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate?
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate has a molecular weight of 270.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate is sourced from PubChem (CID 95357591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).