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

C15H21NO2 — CID 24859471

IUPACtert-butyl (2R)-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-/m1/s1
InChIKeyNRRWLVIUZOVWTI-CYBMUJFWSA-N
MW247.34 g/mol
LogP3.76
Rot. Bonds1

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

tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate (PubChem CID 24859471) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate
PubChem CID24859471
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl (2R)-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-/m1/s1
InChIKeyNRRWLVIUZOVWTI-CYBMUJFWSA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate (CID 24859471) is tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is NRRWLVIUZOVWTI-CYBMUJFWSA-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-/m1/s1.
What are the key properties of tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate?
tert-butyl (2R)-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 (2R)-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 24859471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).