1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
Properties
- Molecular formula
- C17H21NO5
- Molar mass
- 319.36 g/mol
- Exact mass
- 319.1420 Da
- Melting point
- 69–70 °C
- logP
- 2.66Crippen estimate
- Polar surface area
- 72.9 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
113400-36-5SMILES
CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)OCc1ccccc1InChIKey
TZNBTMCEMLXYEM-ZDUSSCGKSA-NInChI
InChI=1S/C17H21NO5/c1-17(2,3)23-16(21)18-13(9-10-14(18)19)15(20)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-
- 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (S)-
- 2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
- Benzyl N-Boc-pyroglutamate
- N-tert-Butoxycarbonylpyroglutamic acid benzyl ester
- (S)-2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
- 2-Benzyl 1-(tert-butyl) (S)-5-oxopyrrolidine-1,2-dicarboxylate