(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

C17H14ClNO3 — CID 16731773

IUPAC(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-12-8-6-11(7-9-12)16-14(17(21)22)10-15(20)19(16)13-4-2-1-3-5-13/h1-9,14,16H,10H2,(H,21,22)/t14-,16+/m1/s1
InChIKeyBEFKUHLUFYEDIE-ZBFHGGJFSA-N
MW315.76 g/mol
LogP3.52
Rot. Bonds3

About (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 16731773) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID16731773
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-12-8-6-11(7-9-12)16-14(17(21)22)10-15(20)19(16)13-4-2-1-3-5-13/h1-9,14,16H,10H2,(H,21,22)/t14-,16+/m1/s1
InChIKeyBEFKUHLUFYEDIE-ZBFHGGJFSA-N
XLogP3.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 16731773) is (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is BEFKUHLUFYEDIE-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-12-8-6-11(7-9-12)16-14(17(21)22)10-15(20)19(16)13-4-2-1-3-5-13/h1-9,14,16H,10H2,(H,21,22)/t14-,16+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 16731773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).