4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid

C13H10N4O6 — CID 141178759

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H10N4O6/c18-10-4-5-11(19)17(10)23-12(20)15-8-2-1-3-9-7(8)6-14-16(9)13(21)22/h1-3,6H,4-5H2,(H,15,20)(H,21,22)
InChIKeyTYRRUMFLYQHLIA-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.17
Rot. Bonds2

About 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid

4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid (PubChem CID 141178759) has the molecular formula C13H10N4O6 and a molecular weight of 318.25 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid
PubChem CID141178759
Molecular FormulaC13H10N4O6
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H10N4O6/c18-10-4-5-11(19)17(10)23-12(20)15-8-2-1-3-9-7(8)6-14-16(9)13(21)22/h1-3,6H,4-5H2,(H,15,20)(H,21,22)
InChIKeyTYRRUMFLYQHLIA-UHFFFAOYSA-N
XLogP1.17
TPSA130.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid (CID 141178759) is 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid is O=C(Nc1cccc2c1cnn2C(=O)O)ON1C(=O)CCC1=O.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid?
The InChIKey is TYRRUMFLYQHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O6/c18-10-4-5-11(19)17(10)23-12(20)15-8-2-1-3-9-7(8)6-14-16(9)13(21)22/h1-3,6H,4-5H2,(H,15,20)(H,21,22).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid?
4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid has a molecular weight of 318.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid is sourced from PubChem (CID 141178759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).