953435-49-9
[1-(4-CARBOXY-PHENYL)-PYRROLIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[1-(4-CARBOXY-PHENYL)-PYRROLIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[1-(4-CARBOXY-PHENYL)-PYRROLIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06657322
【English Synonyms】
【Formula】
C16 H22 N2 O4
【MolWeight】
306.36
【Inchi】
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)17-12-8-9-18(10-12)13-6-4-11(5-7-13)14(19)20/h4-7,12H,8-10H2,1-3H3,(H,17,21)(H,19,20)
【InChIKey】
InChIKey=QJBKEMOLZCNEGH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCN(C1)c2ccc(cc2)C(=O)O
【MOL File】
[1-(4-CARBOXY-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1-(4-CARBOXY-PHENYL)-PYRROLIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER.cml