2-(benzylideneamino)oxyacetic acid

C9H9NO3 — CID 2336643

IUPAC2-(benzylideneamino)oxyacetic acid
SMILESO=C(O)CON=Cc1ccccc1
InChIInChI=1S/C9H9NO3/c11-9(12)7-13-10-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKeyLJKLAUKCFUAGQZ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.12
Rot. Bonds4

About 2-(benzylideneamino)oxyacetic acid

2-(benzylideneamino)oxyacetic acid (PubChem CID 2336643) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(benzylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(benzylideneamino)oxyacetic acid
PubChem CID2336643
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(benzylideneamino)oxyacetic acid
SMILESO=C(O)CON=Cc1ccccc1
InChIInChI=1S/C9H9NO3/c11-9(12)7-13-10-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKeyLJKLAUKCFUAGQZ-UHFFFAOYSA-N
XLogP1.12
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.12
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-(benzylideneamino)oxyacetic acid?
The IUPAC name of 2-(benzylideneamino)oxyacetic acid (CID 2336643) is 2-(benzylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(benzylideneamino)oxyacetic acid?
The canonical SMILES for 2-(benzylideneamino)oxyacetic acid is O=C(O)CON=Cc1ccccc1.
What is the InChIKey of 2-(benzylideneamino)oxyacetic acid?
The InChIKey is LJKLAUKCFUAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-9(12)7-13-10-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12).
What are the key properties of 2-(benzylideneamino)oxyacetic acid?
2-(benzylideneamino)oxyacetic acid has a molecular weight of 179.17 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)oxyacetic acid is sourced from PubChem (CID 2336643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).