113507-43-0
(2S,4R)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid
Name(2S,4R)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid
1Identification
【Name】
(2S,4R)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C16H20ClNO5
【MolWeight】
341.787
【Inchi】
InChI=1S/C16H20ClNO5/c1-16(2,3)23-15(21)18-9-12(8-13(18)14(19)20)22-11-6-4-10(17)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m1/s1
【InChIKey】
InChIKey=XQRJMROGXSIXNT-OLZOCXBDSA-N
【SMILES】
C(C)(C)(C)OC(=O)N1[C@@H](C[C@H](C1)OC1=CC=C(C=C1)Cl)C(=O)O
【MOL File】
(2S,4R)-1-(tert-buto….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(2S,4R)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid.cml