86834-94-8
(S)-3-(Boc-amino)-5-methyl-hexanoic acid methyl ester
Name(S)-3-(Boc-amino)-5-methyl-hexanoic acid methyl ester
1Identification
【Name】
(S)-3-(Boc-amino)-5-methyl-hexanoic acid methyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H25NO4
【MolWeight】
259.3419
【Inchi】
InChI=1S/C13H25NO4/c1-9(2)7-10(8-11(15)17-6)14-12(16)18-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,16)/t10-/m0/s1
【InChIKey】
InChIKey=YACSTGFJEALEJV-JTQLQIEISA-N
【SMILES】
COC(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)=O
【MOL File】
(S)-3-(Boc-amino)-5-….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)-5-methyl-hexanoic acid methyl ester.cml