2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid

C6H7N3O5 — CID 63931173

IUPAC2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H7N3O5/c10-4(11)2-14-9-5(12)3-1-7-6(13)8-3/h1H,2H2,(H,9,12)(H,10,11)(H2,7,8,13)
InChIKeyABIJRYPJYZMHAO-UHFFFAOYSA-N
MW201.14 g/mol
LogP-1.55
Rot. Bonds4

About 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid

2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid (PubChem CID 63931173) has the molecular formula C6H7N3O5 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid
PubChem CID63931173
Molecular FormulaC6H7N3O5
Molecular Weight201.14 g/mol
Exact Mass201.04
IUPAC Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C6H7N3O5/c10-4(11)2-14-9-5(12)3-1-7-6(13)8-3/h1H,2H2,(H,9,12)(H,10,11)(H2,7,8,13)
InChIKeyABIJRYPJYZMHAO-UHFFFAOYSA-N
XLogP-1.55
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid (CID 63931173) is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid?
The InChIKey is ABIJRYPJYZMHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O5/c10-4(11)2-14-9-5(12)3-1-7-6(13)8-3/h1H,2H2,(H,9,12)(H,10,11)(H2,7,8,13).
What are the key properties of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid?
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid has a molecular weight of 201.14 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63931173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).