2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid

C26H23NO4 — CID 70685414

IUPAC2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1=O
InChIInChI=1S/C26H23NO4/c28-24(20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)17-18-11-13-21(14-12-18)27-16-15-22(25(27)29)26(30)31/h1-14,22-23H,15-17H2,(H,30,31)
InChIKeyNPWDCPUYWLSXFG-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.33
Rot. Bonds7

About 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid

2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 70685414) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID70685414
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1=O
InChIInChI=1S/C26H23NO4/c28-24(20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)17-18-11-13-21(14-12-18)27-16-15-22(25(27)29)26(30)31/h1-14,22-23H,15-17H2,(H,30,31)
InChIKeyNPWDCPUYWLSXFG-UHFFFAOYSA-N
XLogP4.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid (CID 70685414) is 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)C1=O.
What is the InChIKey of 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NPWDCPUYWLSXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c28-24(20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)17-18-11-13-21(14-12-18)27-16-15-22(25(27)29)26(30)31/h1-14,22-23H,15-17H2,(H,30,31).
What are the key properties of 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid?
2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 413.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[4-(3-oxo-2,3-diphenylpropyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70685414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).