tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate

C15H21NO2 — CID 10999368

IUPACtert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyNRRWLVIUZOVWTI-ZDUSSCGKSA-N
MW247.34 g/mol
LogP3.76
Rot. Bonds1

About tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate

tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate (PubChem CID 10999368) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
PubChem CID10999368
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyNRRWLVIUZOVWTI-ZDUSSCGKSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl (2S)-2-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

4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
4-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124941221
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
2-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124964523
tert-butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate;tert-butyl (2R,3S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 167995330
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501
tert-butyl 2-(4-carbamoylphenyl)pyrrolidine-1-carboxylate
CID 170590736
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 45073944

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate (CID 10999368) is tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is NRRWLVIUZOVWTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate?
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10999368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).