(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid

C17H15NO4 — CID 42257007

IUPAC(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C17H15NO4/c19-16-15(17(20)21)10-11-18(16)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1
InChIKeyUEQMCSVUDSUKTL-OAHLLOKOSA-N
MW297.31 g/mol
LogP2.92
Rot. Bonds4

About (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid

(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 42257007) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID42257007
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C17H15NO4/c19-16-15(17(20)21)10-11-18(16)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1
InChIKeyUEQMCSVUDSUKTL-OAHLLOKOSA-N
XLogP2.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid (CID 42257007) is (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UEQMCSVUDSUKTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16-15(17(20)21)10-11-18(16)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,21)/t15-/m1/s1.
What are the key properties of (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 42257007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).