1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid

C26H26N2O3 — CID 155510747

IUPAC1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCO/N=C/c2ccccc2-c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C26H26N2O3/c29-26(30)24-14-15-28(19-24)16-17-31-27-18-23-8-4-5-9-25(23)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-13,18,24H,14-17,19H2,(H,29,30)/b27-18+
InChIKeyZVLSQQIYFUNLMG-OVVQPSECSA-N
MW414.51 g/mol
LogP4.78
Rot. Bonds8

About 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid

1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid (PubChem CID 155510747) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid
PubChem CID155510747
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCO/N=C/c2ccccc2-c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C26H26N2O3/c29-26(30)24-14-15-28(19-24)16-17-31-27-18-23-8-4-5-9-25(23)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-13,18,24H,14-17,19H2,(H,29,30)/b27-18+
InChIKeyZVLSQQIYFUNLMG-OVVQPSECSA-N
XLogP4.78
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
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 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid (CID 155510747) is 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CCO/N=C/c2ccccc2-c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZVLSQQIYFUNLMG-OVVQPSECSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-26(30)24-14-15-28(19-24)16-17-31-27-18-23-8-4-5-9-25(23)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-13,18,24H,14-17,19H2,(H,29,30)/b27-18+.
What are the key properties of 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid?
1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 414.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-[2-(4-phenylphenyl)phenyl]methylideneamino]oxyethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155510747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).