1263281-52-2
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ISOPROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
Name(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ISOPROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ISOPROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17011750
【English Synonyms】
【Formula】
C19 H27 N O4
【MolWeight】
333.425
【Inchi】
InChI=1S/C19H27NO4/c1-12(2)13-6-8-14(9-7-13)15-10-20(11-16(15)17(21)22)18(23)24-19(3,4)5/h6-9,12,15-16H,10-11H2,1-5H3,(H,21,22)/t15-,16+/m0/s1
【InChIKey】
InChIKey=JDEWSAXOVLKJBE-JKSUJKDBSA-N
【SMILES】
CC(C)c1ccc(cc1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)OC(C)(C)C
【MOL File】
(3S,4R)-1-(TERT-BUTO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ISOPROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID.cml