59182-85-3
(S)-1-(BENZYLOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDINE-2-CARBOXYLIC ACID
Name(S)-1-(BENZYLOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDINE-2-CARBOXYLIC ACID
1Identification
【Name】
(S)-1-(BENZYLOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD19687824
【English Synonyms】
【Formula】
C14 H15 N O4
【MolWeight】
261.276
【Inchi】
InChI=1S/C14H15NO4/c16-13(17)12-8-4-5-9-15(12)14(18)19-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2,(H,16,17)/t12-/m0/s1
【InChIKey】
InChIKey=OTPKSJZCQYEUTM-LBPRGKRZSA-N
【SMILES】
c1ccc(cc1)COC(=O)N2CC=CC[C@H]2C(=O)O
【MOL File】
(S)-1-(BENZYLOXYCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-1-(BENZYLOXYCARBONYL)-1,2,3,6-TETRAHYDROPYRIDINE-2-CARBOXYLIC ACID.cml