2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid

C10H15N3O6 — CID 63929517

IUPAC2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid
SMILESCN1CC(=O)N(CCCC(=O)NOCC(=O)O)C1=O
InChIInChI=1S/C10H15N3O6/c1-12-5-8(15)13(10(12)18)4-2-3-7(14)11-19-6-9(16)17/h2-6H2,1H3,(H,11,14)(H,16,17)
InChIKeyZZIFLUHVPNGOBR-UHFFFAOYSA-N
MW273.25 g/mol
LogP-1.21
Rot. Bonds7

About 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid

2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid (PubChem CID 63929517) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid
PubChem CID63929517
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid
SMILESCN1CC(=O)N(CCCC(=O)NOCC(=O)O)C1=O
InChIInChI=1S/C10H15N3O6/c1-12-5-8(15)13(10(12)18)4-2-3-7(14)11-19-6-9(16)17/h2-6H2,1H3,(H,11,14)(H,16,17)
InChIKeyZZIFLUHVPNGOBR-UHFFFAOYSA-N
XLogP-1.21
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-1.21
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-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid?
The IUPAC name of 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid (CID 63929517) is 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid.
What is the SMILES notation for 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid?
The canonical SMILES for 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid is CN1CC(=O)N(CCCC(=O)NOCC(=O)O)C1=O.
What is the InChIKey of 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid?
The InChIKey is ZZIFLUHVPNGOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-12-5-8(15)13(10(12)18)4-2-3-7(14)11-19-6-9(16)17/h2-6H2,1H3,(H,11,14)(H,16,17).
What are the key properties of 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid?
2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid has a molecular weight of 273.25 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]oxyacetic acid is sourced from PubChem (CID 63929517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).