(4-Nitrophenyl)methyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylate
Properties
- Molecular formula
- C15H19N3O5S
- Molar mass
- 353.39 g/mol
- Exact mass
- 353.1045 Da
- Melting point
- 118–119 °C
- logP
- 1.69Crippen estimate
- Polar surface area
- 93.0 Ų
- H-bond donors / acceptors
- 1 / 6
- Rotatable bonds
- 4
Identifiers
CAS number
96034-64-9SMILES
CN(C)C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1InChIKey
VGLBNJWGUYQZHD-STQMWFEESA-NInChI
InChI=1S/C15H19N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,24H,7-9H2,1-2H3/t12-,13-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-, (4-nitrophenyl)methyl ester, (2S,4S)-
- 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-, (4-nitrophenyl)methyl ester, (2S-cis)-
- (2S,4S)-2-Dimethylaminocarbonyl-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-pyrrolidine
- (2S,4S)-N,N-Dimethyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine-2-carboxamide