3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
44 47 0 1 0 0 0 0 0999 V2000
-0.6898 -0.4807 -1.1419 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9275 1.2720 1.9834 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3931 -1.0290 -2.5756 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 2.0344 0.4684 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8355 -0.5343 -0.3591 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3404 -0.3227 0.9936 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5288 -0.6472 1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7374 -0.3094 1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 -0.3483 -1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2841 -0.7063 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0467 -1.2760 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7496 1.0158 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2466 -0.6386 -2.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3549 -0.5289 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 0.8772 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -0.7079 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9406 1.1182 1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1432 -2.6580 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5054 2.2630 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 -1.1656 1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3453 1.9925 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5458 -3.2992 0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6793 3.3865 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8476 -2.5604 1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0945 3.2526 0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4770 -0.9690 1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5318 -0.0933 2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5380 -1.7197 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6460 -0.8321 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9362 0.7681 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 -0.4183 -2.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4913 -1.7619 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7294 -0.0980 -1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1844 -1.6617 -2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0087 0.0628 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9155 -3.2321 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1886 2.3711 -2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9925 -0.6087 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 1.9053 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6287 -4.3826 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4928 4.3772 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1593 -3.0815 2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2229 4.1417 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6502 2.2095 2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 16 1 0 0 0 0
2 17 1 0 0 0 0
2 44 1 0 0 0 0
3 16 2 0 0 0 0
4 17 2 0 0 0 0
5 6 1 0 0 0 0
5 10 1 0 0 0 0
5 16 1 0 0 0 0
6 7 1 0 0 0 0
6 17 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 14 1 0 0 0 0
11 18 2 0 0 0 0
12 15 1 0 0 0 0
12 19 2 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 20 2 0 0 0 0
15 21 2 0 0 0 0
18 22 1 0 0 0 0
18 36 1 0 0 0 0
19 23 1 0 0 0 0
19 37 1 0 0 0 0
20 24 1 0 0 0 0
20 38 1 0 0 0 0
21 25 1 0 0 0 0
21 39 1 0 0 0 0
22 24 2 0 0 0 0
22 40 1 0 0 0 0
23 25 2 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
4.2 InChI
InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m1/s1
4.3 InChIKey
ZPGDWQNBZYOZTI-GOSISDBHSA-N
4.4 Canonical SMILES
C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
4.5 Isomeric SMILES
C1C[C@@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
