2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid

C17H15NO6 — CID 10892825

IUPAC2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid
SMILESO=C(O)C(=O)N(c1ccccc1CCO)c1ccccc1C(=O)O
InChIInChI=1S/C17H15NO6/c19-10-9-11-5-1-3-7-13(11)18(15(20)17(23)24)14-8-4-2-6-12(14)16(21)22/h1-8,19H,9-10H2,(H,21,22)(H,23,24)
InChIKeyZJTFWBVAFXIMFG-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.67
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid

2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid (PubChem CID 10892825) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid
PubChem CID10892825
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid
SMILESO=C(O)C(=O)N(c1ccccc1CCO)c1ccccc1C(=O)O
InChIInChI=1S/C17H15NO6/c19-10-9-11-5-1-3-7-13(11)18(15(20)17(23)24)14-8-4-2-6-12(14)16(21)22/h1-8,19H,9-10H2,(H,21,22)(H,23,24)
InChIKeyZJTFWBVAFXIMFG-UHFFFAOYSA-N
XLogP1.67
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid (CID 10892825) is 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid is O=C(O)C(=O)N(c1ccccc1CCO)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid?
The InChIKey is ZJTFWBVAFXIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c19-10-9-11-5-1-3-7-13(11)18(15(20)17(23)24)14-8-4-2-6-12(14)16(21)22/h1-8,19H,9-10H2,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid?
2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid has a molecular weight of 329.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)-N-oxaloanilino]benzoic acid is sourced from PubChem (CID 10892825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).