3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide

C7H10N4O4 — CID 155490212

IUPAC3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide
SMILESCNC(=O)N1CC(=O)N(CC(N)=O)C1=O
InChIInChI=1S/C7H10N4O4/c1-9-6(14)11-3-5(13)10(7(11)15)2-4(8)12/h2-3H2,1H3,(H2,8,12)(H,9,14)
InChIKeyAKQIFACURRMOAB-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.92
Rot. Bonds2

About 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide (PubChem CID 155490212) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide
PubChem CID155490212
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide
SMILESCNC(=O)N1CC(=O)N(CC(N)=O)C1=O
InChIInChI=1S/C7H10N4O4/c1-9-6(14)11-3-5(13)10(7(11)15)2-4(8)12/h2-3H2,1H3,(H2,8,12)(H,9,14)
InChIKeyAKQIFACURRMOAB-UHFFFAOYSA-N
XLogP-1.92
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide (CID 155490212) is 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide is CNC(=O)N1CC(=O)N(CC(N)=O)C1=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide?
The InChIKey is AKQIFACURRMOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-9-6(14)11-3-5(13)10(7(11)15)2-4(8)12/h2-3H2,1H3,(H2,8,12)(H,9,14).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide has a molecular weight of 214.18 g/mol, XLogP of -1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-methyl-2,4-dioxoimidazolidine-1-carboxamide is sourced from PubChem (CID 155490212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).