[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C13H18N2O5 — CID 7209835

IUPAC[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)O[C@@H]2CCCCC2=O)C1=O
InChIInChI=1S/C13H18N2O5/c1-13(2)11(18)15(12(19)14-13)7-10(17)20-9-6-4-3-5-8(9)16/h9H,3-7H2,1-2H3,(H,14,19)/t9-/m1/s1
InChIKeyIQAWVLKZGAIROO-SECBINFHSA-N
MW282.30 g/mol
LogP0.37
Rot. Bonds3

About [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7209835) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7209835
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)O[C@@H]2CCCCC2=O)C1=O
InChIInChI=1S/C13H18N2O5/c1-13(2)11(18)15(12(19)14-13)7-10(17)20-9-6-4-3-5-8(9)16/h9H,3-7H2,1-2H3,(H,14,19)/t9-/m1/s1
InChIKeyIQAWVLKZGAIROO-SECBINFHSA-N
XLogP0.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-oxocyclohexyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7479843
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
[4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxymethyl]phenyl]methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42967491
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209656
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46606498
[(1S)-2-oxocyclohexyl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
CID 96997327
5,5-dimethyl-3-[2-(2-oxocyclopentyl)ethyl]imidazolidine-2,4-dione
CID 79569142
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209636
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860271
cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97005692
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7209835) is [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)O[C@@H]2CCCCC2=O)C1=O.
What is the InChIKey of [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is IQAWVLKZGAIROO-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2)11(18)15(12(19)14-13)7-10(17)20-9-6-4-3-5-8(9)16/h9H,3-7H2,1-2H3,(H,14,19)/t9-/m1/s1.
What are the key properties of [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 282.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7209835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).