CAS Registry Number: 87691-27-8

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​hydroxy-​, 1-​(1,​1-​dimethylethyl) ester, (2S,​4S)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​hydroxy-​, 1-​(1,​1-​dimethylethyl) ester, (2S-​cis)​-; (2S,​4S)​-​1-​tert-​Butoxycarbonyl-​4-​hydroxypyrrolidine-​2-​carboxylic acid 

Chemical Formula: C10H17NO5
Exact Mass: 231.11
Molecular Weight: 231.25
m/z: 231.11 (100.0%), 232.11 (11.4%), 233.11 (1.1%)
Elemental Analysis: C, 51.94; H, 7.41; N, 6.06; O, 34.59

InChI: InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey: BENKAPCDIOILGV-BQBZGAKWSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC(CC1C(=O)O)O
Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)O

Specification

98%

1. (1) Floyd, David M.; WO 8912633 A1 1989 CAPLUS
2. (2) Mollica, Adriano; Bioorganic & Medicinal Chemistry 2006, V14(7), P2253-2265 CAPLUS
3. (3) Torino, Domenica; Bioorganic & Medicinal Chemistry 2009, V17(1), P251-259 CAPLUS