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

C17H14ClNO3 — CID 13034110

IUPAC(2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1[C@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-12-6-8-13(9-7-12)19-15(20)10-14(16(19)17(21)22)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,21,22)/t14-,16+/m0/s1
InChIKeyDNEKUWFJUMEDPQ-GOEBONIOSA-N
MW315.76 g/mol
LogP3.31
Rot. Bonds3

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

(2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid (PubChem CID 13034110) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
PubChem CID13034110
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1[C@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-12-6-8-13(9-7-12)19-15(20)10-14(16(19)17(21)22)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,21,22)/t14-,16+/m0/s1
InChIKeyDNEKUWFJUMEDPQ-GOEBONIOSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid (CID 13034110) is (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid is O=C(O)[C@H]1[C@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is DNEKUWFJUMEDPQ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-12-6-8-13(9-7-12)19-15(20)10-14(16(19)17(21)22)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,21,22)/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid?
(2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 13034110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).