(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid

C20H18N2O3 — CID 95598832

IUPAC(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESN#Cc1cccc([C@H]2[C@H](C(=O)O)CC(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c21-13-15-7-4-8-16(11-15)19-17(20(24)25)12-18(23)22(19)10-9-14-5-2-1-3-6-14/h1-8,11,17,19H,9-10,12H2,(H,24,25)/t17-,19+/m1/s1
InChIKeySWNQTUFTCZPYIB-MJGOQNOKSA-N
MW334.38 g/mol
LogP2.78
Rot. Bonds5

About (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid

(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 95598832) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
PubChem CID95598832
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESN#Cc1cccc([C@H]2[C@H](C(=O)O)CC(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c21-13-15-7-4-8-16(11-15)19-17(20(24)25)12-18(23)22(19)10-9-14-5-2-1-3-6-14/h1-8,11,17,19H,9-10,12H2,(H,24,25)/t17-,19+/m1/s1
InChIKeySWNQTUFTCZPYIB-MJGOQNOKSA-N
XLogP2.78
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid (CID 95598832) is (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid is N#Cc1cccc([C@H]2[C@H](C(=O)O)CC(=O)N2CCc2ccccc2)c1.
What is the InChIKey of (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SWNQTUFTCZPYIB-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H18N2O3/c21-13-15-7-4-8-16(11-15)19-17(20(24)25)12-18(23)22(19)10-9-14-5-2-1-3-6-14/h1-8,11,17,19H,9-10,12H2,(H,24,25)/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95598832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).