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

C10H16N2O4 — CID 43215732

IUPACmethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCOC(=O)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2)8(14)12(9(15)11-10)6-4-5-7(13)16-3/h4-6H2,1-3H3,(H,11,15)
InChIKeyLIIAMLQGFDRNEA-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.27
Rot. Bonds4

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

methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 43215732) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID43215732
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCOC(=O)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H16N2O4/c1-10(2)8(14)12(9(15)11-10)6-4-5-7(13)16-3/h4-6H2,1-3H3,(H,11,15)
InChIKeyLIIAMLQGFDRNEA-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
2-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]acetate
CID 155539658
(5S)-5-ethyl-3-(4-methoxybutyl)imidazolidine-2,4-dione
CID 97074949
Methyl (4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
2,5-Dioxo-alpha-ethyl-4-methyl-1,4-imidazolidinediacetic acid ethyl ester
CID 24839037
Methyl 4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanoate
CID 64264657
4-[4-Methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanoic acid
CID 64265060
Methyl 2-(3-methyl-2,5-dioxoimidazolidin-4-yl)acetate
CID 18738712
4-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)butanoic acid
CID 18939891
4-(3,4,4-Trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 19609834
Tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 19609840
Isobutyl 4-oxo-2-imidazolidinepropanoate
CID 19770791

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate (CID 43215732) is methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate is COC(=O)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is LIIAMLQGFDRNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2)8(14)12(9(15)11-10)6-4-5-7(13)16-3/h4-6H2,1-3H3,(H,11,15).
What are the key properties of methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 228.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 43215732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).