CAS Registry Number: 334999-32-5
(Component: 121148-00-3)

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​amino-​, 1-​(1,​1-​dimethylethyl) 2-​methyl ester, hydrochloride (1:1)​, (2S,​4R)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​amino-​, 1-​(1,​1-​dimethylethyl) 2-​methyl ester, monohydrochloride, (2S,​4R)​- (9CI); (2S,​4R)​-​4-​Amino-​1-​(tert-​butoxycarbonyl)​pyrrolidine-​2-​carboxylic acid methyl ester hydrochloride 

Chemical Formula: C11H21ClN2O4
Exact Mass: 280.12
Molecular Weight: 280.75
m/z: 280.12 (100.0%), 282.12 (32.9%), 281.12 (12.8%), 283.12 (3.9%)
Elemental Analysis: C, 47.06; H, 7.54; Cl, 12.63; N, 9.98; O, 22.80

InChI: InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8+;/m1./s1
InChIKey: KFYCQKLSGMAVQH-WLYNEOFISA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N.Cl
Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)N.Cl

Specification

98%

PCT Int. Appl. (2010), WO 2010135748 A1 20101125.

PCT Int. Appl. (2010), WO 2010071129 A1 20100624.