1002732-10-6
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
Name(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16879059
【English Synonyms】
【Formula】
C16 H20 F N O4
【MolWeight】
309.335
【Inchi】
InChI=1S/C16H20FNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
【InChIKey】
InChIKey=VRCJPGMBINFMCH-QWHCGFSZSA-N
【SMILES】
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccc(cc2)F
【MOL File】
(3S,4R)-1-(TERT-BUTO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID.cml