[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C16H16N2O6 — CID 7708903

IUPAC[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)O[C@@H]2CCOC2=O)C1=O
InChIInChI=1S/C16H16N2O6/c1-16(10-5-3-2-4-6-10)14(21)18(15(22)17-16)9-12(19)24-11-7-8-23-13(11)20/h2-6,11H,7-9H2,1H3,(H,17,22)/t11-,16+/m1/s1
InChIKeyWDEAFEXTTXUEQA-BZNIZROVSA-N
MW332.31 g/mol
LogP0.31
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7708903) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID7708903
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)O[C@@H]2CCOC2=O)C1=O
InChIInChI=1S/C16H16N2O6/c1-16(10-5-3-2-4-6-10)14(21)18(15(22)17-16)9-12(19)24-11-7-8-23-13(11)20/h2-6,11H,7-9H2,1H3,(H,17,22)/t11-,16+/m1/s1
InChIKeyWDEAFEXTTXUEQA-BZNIZROVSA-N
XLogP0.31
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate with MolForge

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710915
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97005692
(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708910
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7043085
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55335215
N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494
(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708848

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7708903) is [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)O[C@@H]2CCOC2=O)C1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is WDEAFEXTTXUEQA-BZNIZROVSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-16(10-5-3-2-4-6-10)14(21)18(15(22)17-16)9-12(19)24-11-7-8-23-13(11)20/h2-6,11H,7-9H2,1H3,(H,17,22)/t11-,16+/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 332.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7708903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).