2-(benzhydrylideneamino)oxyacetic acid

C15H13NO3 — CID 14960361

IUPAC2-(benzhydrylideneamino)oxyacetic acid
SMILESO=C(O)CON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)
InChIKeyROFHZGKAEBWPCO-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.54
Rot. Bonds5

About 2-(benzhydrylideneamino)oxyacetic acid

2-(benzhydrylideneamino)oxyacetic acid (PubChem CID 14960361) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(benzhydrylideneamino)oxyacetic acid
PubChem CID14960361
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(benzhydrylideneamino)oxyacetic acid
SMILESO=C(O)CON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)
InChIKeyROFHZGKAEBWPCO-UHFFFAOYSA-N
XLogP2.54
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(benzhydrylideneamino)oxyacetic acid?
The IUPAC name of 2-(benzhydrylideneamino)oxyacetic acid (CID 14960361) is 2-(benzhydrylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(benzhydrylideneamino)oxyacetic acid?
The canonical SMILES for 2-(benzhydrylideneamino)oxyacetic acid is O=C(O)CON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylideneamino)oxyacetic acid?
The InChIKey is ROFHZGKAEBWPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18).
What are the key properties of 2-(benzhydrylideneamino)oxyacetic acid?
2-(benzhydrylideneamino)oxyacetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)oxyacetic acid is sourced from PubChem (CID 14960361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).