2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid

C8H11N3O6 — CID 63928889

IUPAC2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid
SMILESCN1CC(=O)N(CC(=O)NOCC(=O)O)C1=O
InChIInChI=1S/C8H11N3O6/c1-10-3-6(13)11(8(10)16)2-5(12)9-17-4-7(14)15/h2-4H2,1H3,(H,9,12)(H,14,15)
InChIKeyPBNNLMSJASWLGQ-UHFFFAOYSA-N
MW245.19 g/mol
LogP-1.99
Rot. Bonds5

About 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid

2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid (PubChem CID 63928889) has the molecular formula C8H11N3O6 and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid
PubChem CID63928889
Molecular FormulaC8H11N3O6
Molecular Weight245.19 g/mol
Exact Mass245.06
IUPAC Name2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid
SMILESCN1CC(=O)N(CC(=O)NOCC(=O)O)C1=O
InChIInChI=1S/C8H11N3O6/c1-10-3-6(13)11(8(10)16)2-5(12)9-17-4-7(14)15/h2-4H2,1H3,(H,9,12)(H,14,15)
InChIKeyPBNNLMSJASWLGQ-UHFFFAOYSA-N
XLogP-1.99
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid (CID 63928889) is 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid is CN1CC(=O)N(CC(=O)NOCC(=O)O)C1=O.
What is the InChIKey of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid?
The InChIKey is PBNNLMSJASWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6/c1-10-3-6(13)11(8(10)16)2-5(12)9-17-4-7(14)15/h2-4H2,1H3,(H,9,12)(H,14,15).
What are the key properties of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid?
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid has a molecular weight of 245.19 g/mol, XLogP of -1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63928889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).