methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate

C7H8N2O5 — CID 28825343

IUPACmethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C7H8N2O5/c1-8-5(11)6(12)9(7(8)13)3-4(10)14-2/h3H2,1-2H3
InChIKeyFUKAIDBJNYCKCT-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.42
Rot. Bonds2

About methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate

methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate (PubChem CID 28825343) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
PubChem CID28825343
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C7H8N2O5/c1-8-5(11)6(12)9(7(8)13)3-4(10)14-2/h3H2,1-2H3
InChIKeyFUKAIDBJNYCKCT-UHFFFAOYSA-N
XLogP-1.42
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid 5-acetoxy-1,3-diacetyl-2-oxo-imidazolidin-4-yl ester
CID 652321
Ethyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
CID 2512407
2-(3-Methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 4962467
2-(3-Methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 79006640
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
2-(3-Methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 15096139
1-(2-Methoxyethyl)imidazolidine-2,4,5-trione
CID 16227693
Carbomethoxymethylhydantoin
CID 22993692
Ethyl 2,4-dioxoimidazolidine-1-acetate
CID 10773885
2-[3-(Carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 15633824
Methyl 1,3-diacetylimidazolidine-2-carboxylate
CID 102113005
Methyl imidazolidin-4-one-2-carboxylate
CID 129653833

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate (CID 28825343) is methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate is COC(=O)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The InChIKey is FUKAIDBJNYCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-8-5(11)6(12)9(7(8)13)3-4(10)14-2/h3H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate has a molecular weight of 200.15 g/mol, XLogP of -1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 28825343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).