1956436-03-5
(S)-3-(Boc-amino)-4-(2,4-difluorophenyl)butanoic acid
Name(S)-3-(Boc-amino)-4-(2,4-difluorophenyl)butanoic acid
1Identification
【Name】
(S)-3-(Boc-amino)-4-(2,4-difluorophenyl)butanoic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H19F2NO4
【MolWeight】
315.3125
【Inchi】
InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/m0/s1
【InChIKey】
InChIKey=LUYHWLQWAVCDNA-NSHDSACASA-N
【SMILES】
C(=O)(OC(C)(C)C)N[C@H](CC(=O)O)CC1=C(C=C(C=C1)F)F
【MOL File】
(S)-3-(Boc-amino)-4-….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
(S)-3-(Boc-amino)-4-(2,4-difluorophenyl)butanoic acid.cml