2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate

C9H14N2O4 — CID 137320376

IUPAC2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC(C)COC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H14N2O4/c1-6(2)5-15-8(13)4-11-7(12)3-10-9(11)14/h6H,3-5H2,1-2H3,(H,10,14)
InChIKeyQCSCHPMXSXUUGU-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.26
Rot. Bonds4

About 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate

2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 137320376) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID137320376
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC(C)COC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H14N2O4/c1-6(2)5-15-8(13)4-11-7(12)3-10-9(11)14/h6H,3-5H2,1-2H3,(H,10,14)
InChIKeyQCSCHPMXSXUUGU-UHFFFAOYSA-N
XLogP-0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.26
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

Ethyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
CID 2512407
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
1-(2-Methoxyethyl)imidazolidine-2,4,5-trione
CID 16227693
Carbomethoxymethylhydantoin
CID 22993692
Methyl (4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
Ethyl 2,4-dioxoimidazolidine-1-acetate
CID 10773885
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127
Ethyl 2-(2-tert-butyl-5-oxoimidazolidin-1-yl)acetate
CID 134894331
Ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 155490233
Ethyl 2-({[3-(2-amino-2-oxoethyl)-2,4-dioxoimidazolidin-1-yl]carbonyl}amino)acetate
CID 155490328
Ethyl 2-{3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl}acetate
CID 155490329
Ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetate
CID 81296328

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate (CID 137320376) is 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate is CC(C)COC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is QCSCHPMXSXUUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(2)5-15-8(13)4-11-7(12)3-10-9(11)14/h6H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate?
2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 214.22 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 137320376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).