952343-40-7
1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-4-PHENYL-, 1,1-DIMETHYLETHYL ESTER, (3S,4R)-
Name1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-4-PHENYL-, 1,1-DIMETHYLETHYL ESTER, (3S,4R)-
1Identification
【Name】
1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-4-PHENYL-, 1,1-DIMETHYLETHYL ESTER, (3S,4R)-
【CAS】
【MDL】
MFCD12755304
【English Synonyms】
【Formula】
C15 H21 N O3
【MolWeight】
263.335
【Inchi】
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-9-12(13(17)10-16)11-7-5-4-6-8-11/h4-8,12-13,17H,9-10H2,1-3H3/t12-,13+/m0/s1
【InChIKey】
InChIKey=HDSXAVJRWGKVDK-QWHCGFSZSA-N
【SMILES】
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)O)c2ccccc2
【MOL File】
1-PYRROLIDINECARBOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-4-PHENYL-, 1,1-DIMETHYLETHYL ESTER, (3S,4R)-.cml