[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate

C24H29NO5S — CID 97348205

IUPAC[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1
InChIInChI=1S/C24H29NO5S/c1-18(2)31(28,29)22-10-8-20(9-11-22)15-24(27)30-17-21-14-23(26)25(16-21)13-12-19-6-4-3-5-7-19/h3-11,18,21H,12-17H2,1-2H3/t21-/m1/s1
InChIKeyXEGLQHPBELEFGW-OAQYLSRUSA-N
MW443.57 g/mol
LogP3.05
Rot. Bonds9

About [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate

[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate (PubChem CID 97348205) has the molecular formula C24H29NO5S and a molecular weight of 443.57 g/mol. Its IUPAC name is [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate
PubChem CID97348205
Molecular FormulaC24H29NO5S
Molecular Weight443.57 g/mol
Exact Mass443.18
IUPAC Name[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1
InChIInChI=1S/C24H29NO5S/c1-18(2)31(28,29)22-10-8-20(9-11-22)15-24(27)30-17-21-14-23(26)25(16-21)13-12-19-6-4-3-5-7-19/h3-11,18,21H,12-17H2,1-2H3/t21-/m1/s1
InChIKeyXEGLQHPBELEFGW-OAQYLSRUSA-N
XLogP3.05
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate with MolForge

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Related Compounds

[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl pyridine-3-carboxylate
CID 97082060
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 4-aminopyrimidine-5-carboxylate
CID 100667472
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
(3S)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084910
(3R)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084911
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898522
ethyl 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]triazole-4-carboxylate
CID 172906615

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The IUPAC name of [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate (CID 97348205) is [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate.
What is the SMILES notation for [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The canonical SMILES for [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate is CC(C)S(=O)(=O)c1ccc(CC(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1.
What is the InChIKey of [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The InChIKey is XEGLQHPBELEFGW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29NO5S/c1-18(2)31(28,29)22-10-8-20(9-11-22)15-24(27)30-17-21-14-23(26)25(16-21)13-12-19-6-4-3-5-7-19/h3-11,18,21H,12-17H2,1-2H3/t21-/m1/s1.
What are the key properties of [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate?
[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate has a molecular weight of 443.57 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl 2-(4-propan-2-ylsulfonylphenyl)acetate is sourced from PubChem (CID 97348205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).