CAS Registry Number: 103336-06-7

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 2-​methyl-​, 1-​(1,​1-​dimethylethyl) ester, (2S)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 2-​methyl-​, 1-​(1,​1-​dimethylethyl) ester, (S)​-; (2S)​-​1-​(tert-​Butoxycarbonyl)​-​2-​methylpyrrolidine-​2-​carboxylic acid; (S)​-​1-​(tert-​Butoxycarbonyl)​-​2-​methyl-​2-​pyrrolidinecarboxyli​c acid; (S)​-​Boc-​2-​methylproline; (S)​-​N-​(tert-​Butoxycarbonyl)​-​α-​methylproline 

Chemical Formula: C11H19NO4
Exact Mass: 229.13
Molecular Weight: 229.27
m/z: 229.13 (100.0%), 230.13 (12.3%), 231.14 (1.5%)
Elemental Analysis: C, 57.62; H, 8.35; N, 6.11; O, 27.91

InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
InChIKey: YQXRKJHVAUKXRN-NSHDSACASA-N
Canonical SMILES : CC1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Isomeric SMILES: C[C@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O

Specification

98%

PCT Int. Appl. (2013), WO 2013182972 A1 20131212.

PCT Int. Appl. (2013), WO 2013114991 A1 20130808.