2-(benzhydrylamino)oxyacetic acid

C15H15NO3 — CID 23044530

IUPAC2-(benzhydrylamino)oxyacetic acid
SMILESO=C(O)CONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)
InChIKeyJRXLOGZQSKTJRE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.38
Rot. Bonds6

About 2-(benzhydrylamino)oxyacetic acid

2-(benzhydrylamino)oxyacetic acid (PubChem CID 23044530) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(benzhydrylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(benzhydrylamino)oxyacetic acid
PubChem CID23044530
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(benzhydrylamino)oxyacetic acid
SMILESO=C(O)CONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)
InChIKeyJRXLOGZQSKTJRE-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(benzhydrylamino)oxyacetic acid?
The IUPAC name of 2-(benzhydrylamino)oxyacetic acid (CID 23044530) is 2-(benzhydrylamino)oxyacetic acid.
What is the SMILES notation for 2-(benzhydrylamino)oxyacetic acid?
The canonical SMILES for 2-(benzhydrylamino)oxyacetic acid is O=C(O)CONC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)oxyacetic acid?
The InChIKey is JRXLOGZQSKTJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18).
What are the key properties of 2-(benzhydrylamino)oxyacetic acid?
2-(benzhydrylamino)oxyacetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)oxyacetic acid is sourced from PubChem (CID 23044530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).