3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid

C18H20N2O3 — CID 118729898

IUPAC3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid
SMILESO=C(O)CCNCCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
InChIKeyMCYAEYLUXRQTGL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.52
Rot. Bonds9

About 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid

3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid (PubChem CID 118729898) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid
PubChem CID118729898
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid
SMILESO=C(O)CCNCCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
InChIKeyMCYAEYLUXRQTGL-UHFFFAOYSA-N
XLogP2.52
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid?
The IUPAC name of 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid (CID 118729898) is 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid?
The canonical SMILES for 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid is O=C(O)CCNCCON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid?
The InChIKey is MCYAEYLUXRQTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22).
What are the key properties of 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid?
3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzhydrylideneamino)oxyethylamino]propanoic acid is sourced from PubChem (CID 118729898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).