918411-46-8
(1S,2S,4R)-7-(TERT-BUTOXYCARBONYL)-7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
Name(1S,2S,4R)-7-(TERT-BUTOXYCARBONYL)-7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
1Identification
【Name】
(1S,2S,4R)-7-(TERT-BUTOXYCARBONYL)-7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11975926
【English Synonyms】
【Formula】
C12 H19 N O4
【MolWeight】
241.285
【Inchi】
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-9(13)8(6-7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/m0/s1
【InChIKey】
InChIKey=XRDRXGVDCVQVPV-XHNCKOQMSA-N
【SMILES】
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C2)C(=O)O
【MOL File】
(1S,2S,4R)-7-(TERT-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(1S,2S,4R)-7-(TERT-BUTOXYCARBONYL)-7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID.cml