tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate

C23H27NO3 — CID 126684515

IUPACtert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-20(15-16-21(24)25)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-10,12-13,20H,11,14-16H2,1-3H3/t20-/m1/s1
InChIKeyUMEITKZIILCCIJ-HXUWFJFHSA-N
MW365.47 g/mol
LogP5.21
Rot. Bonds4

About tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate

tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 126684515) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
PubChem CID126684515
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nametert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-20(15-16-21(24)25)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-10,12-13,20H,11,14-16H2,1-3H3/t20-/m1/s1
InChIKeyUMEITKZIILCCIJ-HXUWFJFHSA-N
XLogP5.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;ethane
CID 145264211
tert-butyl (5R)-3-[(dimethylamino)methyl]-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
CID 143834441
tert-butyl (5R)-3-(dimethylaminomethylidene)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 159165454
1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one
CID 15670583
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 70974571
tert-butyl 2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate;propane
CID 143193370
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 66739288
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318478
tert-butyl 2-[[3-(dibenzoylamino)-4-fluorophenyl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 172551955
tert-butyl (5S)-3-(2,2-dimethylpropanoyl)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 53312072

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate (CID 126684515) is tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is UMEITKZIILCCIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27NO3/c1-23(2,3)27-22(26)24-20(15-16-21(24)25)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-10,12-13,20H,11,14-16H2,1-3H3/t20-/m1/s1.
What are the key properties of tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate?
tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126684515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).