(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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Related Compounds

(2S,3S)-2-(3-cyanophenyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95276730
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
(3R,4S)-1-benzyl-4-(3-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 46839570
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217776
2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 107936794
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530

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).