methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate

C8H12N2O4 — CID 137467945

IUPACmethyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CC1NC(=O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-4(7(12)14-2)3-5-6(11)10-8(13)9-5/h4-5H,3H2,1-2H3,(H2,9,10,11,13)
InChIKeyZFEMRPPCTOIKOS-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.61
Rot. Bonds3

About methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate

methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate (PubChem CID 137467945) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
PubChem CID137467945
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CC1NC(=O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-4(7(12)14-2)3-5-6(11)10-8(13)9-5/h4-5H,3H2,1-2H3,(H2,9,10,11,13)
InChIKeyZFEMRPPCTOIKOS-UHFFFAOYSA-N
XLogP-0.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-3-(2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 70588609
3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid
CID 121449082
methyl (2S)-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-2-methylpropanoate
CID 167608778
5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione
CID 137408677
1-O-[(2,5-dioxoimidazolidin-4-yl)methyl] 4-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 122447609
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
CID 19708140
2-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 75460025
ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
CID 19708160
methyl (4S)-6-(bromomethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7200359
methyl 4-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoylamino]benzoate
CID 25465841
5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 155483984

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate (CID 137467945) is methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate is COC(=O)C(C)CC1NC(=O)NC1=O.
What is the InChIKey of methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate?
The InChIKey is ZFEMRPPCTOIKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4(7(12)14-2)3-5-6(11)10-8(13)9-5/h4-5H,3H2,1-2H3,(H2,9,10,11,13).
What are the key properties of methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate?
methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate has a molecular weight of 200.19 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate is sourced from PubChem (CID 137467945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).