3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
44 47 0 1 0 0 0 0 0999 V2000
-0.7064 -0.3396 1.1894 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8592 1.0038 -2.1417 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 -0.5700 2.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3038 2.0642 -0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8595 -0.3400 0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3663 -0.3430 -0.9444 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5850 -0.6963 -1.7896 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7565 -0.1615 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6386 -0.3065 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3165 -0.4027 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8671 1.0024 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9194 -1.3294 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -0.4226 2.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 0.7504 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2779 -0.6803 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0292 -0.4280 1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 1.0398 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 2.2956 1.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8749 -2.7114 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5143 1.7978 -1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5866 -1.4155 -1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0333 3.3507 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 -3.4519 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4046 3.1044 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5375 -2.8103 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5529 -1.0688 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6727 -1.7862 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5596 -0.2720 -2.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8793 0.9129 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7033 -0.6544 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3924 -0.4049 2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7078 0.3355 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5962 -1.4038 0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 0.3848 2.9856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1015 -1.3857 2.7797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4808 2.4905 2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6081 -3.2108 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8031 1.6235 -2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8616 -0.9345 -2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9574 4.3755 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -4.5376 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6102 3.9419 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7757 -3.4078 -2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5164 1.9003 -2.3443 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
(2S)-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-/m0/s1
4.3 InChIKey
ZPGDWQNBZYOZTI-SFHVURJKSA-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)
