2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid

C17H14N2O6 — CID 43826786

IUPAC2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CC(Nc3ccccc3O)C2=O)cc1O
InChIInChI=1S/C17H14N2O6/c20-13-4-2-1-3-11(13)18-12-8-15(22)19(16(12)23)9-5-6-10(17(24)25)14(21)7-9/h1-7,12,18,20-21H,8H2,(H,24,25)
InChIKeyDSYZLFVDRXGRHH-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.54
Rot. Bonds4

About 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid

2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (PubChem CID 43826786) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
PubChem CID43826786
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CC(Nc3ccccc3O)C2=O)cc1O
InChIInChI=1S/C17H14N2O6/c20-13-4-2-1-3-11(13)18-12-8-15(22)19(16(12)23)9-5-6-10(17(24)25)14(21)7-9/h1-7,12,18,20-21H,8H2,(H,24,25)
InChIKeyDSYZLFVDRXGRHH-UHFFFAOYSA-N
XLogP1.54
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (CID 43826786) is 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is O=C(O)c1ccc(N2C(=O)CC(Nc3ccccc3O)C2=O)cc1O.
What is the InChIKey of 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The InChIKey is DSYZLFVDRXGRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c20-13-4-2-1-3-11(13)18-12-8-15(22)19(16(12)23)9-5-6-10(17(24)25)14(21)7-9/h1-7,12,18,20-21H,8H2,(H,24,25).
What are the key properties of 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid has a molecular weight of 342.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 43826786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).