tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate

C23H29NO2 — CID 135029426

IUPACtert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(2,3)26-22(25)24-16-10-15-20(24)17-21(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-/m0/s1
InChIKeyCSAWZPTXDDFMCE-FQEVSTJZSA-N
MW351.49 g/mol
LogP5.61
Rot. Bonds4

About tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate (PubChem CID 135029426) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate
PubChem CID135029426
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Nametert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-23(2,3)26-22(25)24-16-10-15-20(24)17-21(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-/m0/s1
InChIKeyCSAWZPTXDDFMCE-FQEVSTJZSA-N
XLogP5.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
rac-tert-butyl (3R,4S)-3-amino-4-phenylpyrrolidine-1-carboxylate
CID 17749745
ethyl N-benzhydryl-N-methylcarbamate
CID 10778396
Tert-butyl 4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 11301928
1-Boc-3-(4-fluorophenyl)piperidine
CID 122234266
tert-Butyl 3-phenylazetidine-1-carboxylate
CID 15856657
US11078186, Example 4
CID 134498594
US11078186, Example 1
CID 134498612
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
Tert-butyl 3-(4-(trifluoromethyl)benzyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 46210375
Tert-butyl 4,4-dimethyl-2-(3-(trifluoromethyl)benzyl)pyrrolidine-1-carboxylate
CID 46904867
Tert-butyl 4,4-dimethyl-2-(2-(trifluoromethyl)benzyl)pyrrolidine-1-carboxylate
CID 53383673

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate (CID 135029426) is tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate?
The InChIKey is CSAWZPTXDDFMCE-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(2,3)26-22(25)24-16-10-15-20(24)17-21(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 135029426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).