2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid

C8H12N2O5 — CID 82239395

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N1C(=O)CNC1=O
InChIInChI=1S/C8H12N2O5/c1-8(4-15-2,6(12)13)10-5(11)3-9-7(10)14/h3-4H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyYHFFATIRHNUYAH-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.97
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid

2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid (PubChem CID 82239395) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid
PubChem CID82239395
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N1C(=O)CNC1=O
InChIInChI=1S/C8H12N2O5/c1-8(4-15-2,6(12)13)10-5(11)3-9-7(10)14/h3-4H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyYHFFATIRHNUYAH-UHFFFAOYSA-N
XLogP-0.97
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.97
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 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid (CID 82239395) is 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid is COCC(C)(C(=O)O)N1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid?
The InChIKey is YHFFATIRHNUYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-8(4-15-2,6(12)13)10-5(11)3-9-7(10)14/h3-4H2,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid?
2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid has a molecular weight of 216.19 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 82239395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).