2-[(E)-1-phenylethylideneamino]oxyacetic acid

C10H11NO3 — CID 5359584

IUPAC2-[(E)-1-phenylethylideneamino]oxyacetic acid
SMILESC/C(=N\OCC(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8+
InChIKeyRCSPUQDYCFCXCV-DHZHZOJOSA-N
MW193.20 g/mol
LogP1.51
Rot. Bonds4

About 2-[(E)-1-phenylethylideneamino]oxyacetic acid

2-[(E)-1-phenylethylideneamino]oxyacetic acid (PubChem CID 5359584) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[(E)-1-phenylethylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-1-phenylethylideneamino]oxyacetic acid
PubChem CID5359584
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[(E)-1-phenylethylideneamino]oxyacetic acid
SMILESC/C(=N\OCC(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8+
InChIKeyRCSPUQDYCFCXCV-DHZHZOJOSA-N
XLogP1.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.51
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-[(E)-1-phenylethylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-1-phenylethylideneamino]oxyacetic acid (CID 5359584) is 2-[(E)-1-phenylethylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-1-phenylethylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-1-phenylethylideneamino]oxyacetic acid is C/C(=N\OCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[(E)-1-phenylethylideneamino]oxyacetic acid?
The InChIKey is RCSPUQDYCFCXCV-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8+.
What are the key properties of 2-[(E)-1-phenylethylideneamino]oxyacetic acid?
2-[(E)-1-phenylethylideneamino]oxyacetic acid has a molecular weight of 193.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-phenylethylideneamino]oxyacetic acid is sourced from PubChem (CID 5359584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).