3-[(E)-benzylideneamino]oxypropanoic acid

C10H11NO3 — CID 10081303

IUPAC3-[(E)-benzylideneamino]oxypropanoic acid
SMILESO=C(O)CCO/N=C/c1ccccc1
InChIInChI=1S/C10H11NO3/c12-10(13)6-7-14-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)/b11-8+
InChIKeyWQUBTJOTNRXWNV-DHZHZOJOSA-N
MW193.20 g/mol
LogP1.51
Rot. Bonds5

About 3-[(E)-benzylideneamino]oxypropanoic acid

3-[(E)-benzylideneamino]oxypropanoic acid (PubChem CID 10081303) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-[(E)-benzylideneamino]oxypropanoic acid.

Molecular Properties

Compound Name3-[(E)-benzylideneamino]oxypropanoic acid
PubChem CID10081303
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-[(E)-benzylideneamino]oxypropanoic acid
SMILESO=C(O)CCO/N=C/c1ccccc1
InChIInChI=1S/C10H11NO3/c12-10(13)6-7-14-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)/b11-8+
InChIKeyWQUBTJOTNRXWNV-DHZHZOJOSA-N
XLogP1.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[(E)-benzylideneamino]oxypropanoic acid?
The IUPAC name of 3-[(E)-benzylideneamino]oxypropanoic acid (CID 10081303) is 3-[(E)-benzylideneamino]oxypropanoic acid.
What is the SMILES notation for 3-[(E)-benzylideneamino]oxypropanoic acid?
The canonical SMILES for 3-[(E)-benzylideneamino]oxypropanoic acid is O=C(O)CCO/N=C/c1ccccc1.
What is the InChIKey of 3-[(E)-benzylideneamino]oxypropanoic acid?
The InChIKey is WQUBTJOTNRXWNV-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(13)6-7-14-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)/b11-8+.
What are the key properties of 3-[(E)-benzylideneamino]oxypropanoic acid?
3-[(E)-benzylideneamino]oxypropanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzylideneamino]oxypropanoic acid is sourced from PubChem (CID 10081303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).