methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C8H12N2O4 — CID 3164174

IUPACmethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-8(2)6(12)10(7(13)9-8)4-5(11)14-3/h4H2,1-3H3,(H,9,13)
InChIKeyXVUGIBWFLFWAIX-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.51
Rot. Bonds2

About methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 3164174) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID3164174
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-8(2)6(12)10(7(13)9-8)4-5(11)14-3/h4H2,1-3H3,(H,9,13)
InChIKeyXVUGIBWFLFWAIX-UHFFFAOYSA-N
XLogP-0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[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
methyl 3-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]propanoate
CID 61009768
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209579
methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate
CID 119052968
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107846533
[(1R)-2-oxocyclohexyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209835
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500739
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 60623112
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55399975

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 3164174) is methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is COC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is XVUGIBWFLFWAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-8(2)6(12)10(7(13)9-8)4-5(11)14-3/h4H2,1-3H3,(H,9,13).
What are the key properties of methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 3164174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).