(3S,4R)-1-(tert-butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid
CAS No.:
1001179-54-9
M. Wt:
360.23200
M. Fa:
C16H19Cl2NO4
InChI Key:
YAFUFMBNEFTUBN-WDEREUQCSA-N
Names and Identifiers of 1001179-54-9
CAS Number |
1001179-54-9 |
|---|---|
IUPAC Name |
(3S,4R)-4-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
InChI |
InChI=1S/C16H19Cl2NO4/c1-16(2,3)23-15(22)19-7-10(11(8-19)14(20)21)9-4-5-12(17)13(18)6-9/h4-6,10-11H,7-8H2,1-3H3,(H,20,21)/t10-,11+/m0/s1 |
InChIKey |
YAFUFMBNEFTUBN-WDEREUQCSA-N |
Canonical SMILES |
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl |
Isomeric SMILES |
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl |
Physical and chemical properties of 1001179-54-9
Exact Mass |
359.06900 |
|---|---|
LogP |
3.96640 |
Molecular Formula |
C16H19Cl2NO4 |
Molecular Weight |
360.23200 |
PSA |
66.84000 |
