tert-Butyl (2R)-2-benzyl-4-oxopyrrolidine-1-carboxylate|(2R)-2-Benzyl-4-oxopyrrolidine, N-BOC protected|tert-butyl (2R)-2-benzyl-4-oxopyrrolidine-1-carboxylate|(2R)-2-Benzyl-1-(tert-butoxycarbonyl)-...

General Information

Structure

Molecular Formula

C₁₆H₂₁NO₃

Molecular Mass

275.34284

Exact Mass

275.15214354

Charge

InChI

InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-14(18)10-13(17)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1

InChIKey

BMGZKXBNDSMHNM-CYBMUJFWSA-N

Canonic Smiles

O=C1C[C@H](N(C1)C(=O)OC(C)(C)C)Cc1ccccc1

Isomeric Smiles

N1(CC(=O)C[C@H]1Cc1ccccc1)C(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

18.00951

H Acceptors

H Donor

LogD (pH = 5.5)

2.9091666

LogD (pH = 7.4)

2.9091666

Log P

2.9091666

Molar Refractivity

76.5023

Polarizability

29.98866

Polar Surface Area

46.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

tert-Butyl (2R)-2-benzyl-4-oxopyrrolidine-1-carboxylate(2R)-2-Benzyl-4-oxopyrrolidine, N-BOC protected(2R)-2-Benzyl-1-(tert-butoxycarbonyl)-4-oxopyrrolidinetert-Butyl (2S)-2-benzyl-4-oxopyrrolidine-1-carboxylate(2S)-2-Benzyl-4-oxopyrrolidine, N-BOC protected(2S)-2-Benzyl-1-(tert-butoxycarbonyl)-4-oxopyrrolidine

IUPAC name

tert-butyl (2R)-2-benzyl-4-oxopyrrolidine-1-carboxylate

IUPAC Traditional name

tert-butyl (2R)-2-benzyl-4-oxopyrrolidine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD12028674MFCD12028673

PubChem CID

45933880

PubChem SID

162075246