tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate

C17H25NO2 — CID 90383956

IUPACtert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2)CC1(C)C
InChIInChI=1S/C17H25NO2/c1-16(2,3)20-15(19)18-12-14(11-17(18,4)5)13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3
InChIKeyYBOAJSYWSFIWPV-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.19
Rot. Bonds1

About tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate

tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate (PubChem CID 90383956) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
PubChem CID90383956
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2)CC1(C)C
InChIInChI=1S/C17H25NO2/c1-16(2,3)20-15(19)18-12-14(11-17(18,4)5)13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3
InChIKeyYBOAJSYWSFIWPV-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-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 (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 2-ethenyl-4-phenylpyrrolidine-1-carboxylate
CID 90383971
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-2-carboxylic acid
CID 45073940
tert-butyl (2R,4S)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 131731160
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylazetidine-2-carboxylic acid
CID 171397063
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600
tert-butyl 2-[methoxy(methyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate
CID 76822292
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl 1-(aminomethyl)-2-phenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69336447
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
CID 67505810

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate (CID 90383956) is tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate?
The InChIKey is YBOAJSYWSFIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)20-15(19)18-12-14(11-17(18,4)5)13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate?
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90383956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).