2-aMino-2-(1H-indol-5-yl)acetic acid

(f) (f) (f) DL-alpha-Amino-alpha-(indol-5-yl) acetic acid (6f) 17.3 g (0.08 mole) of 6e are stirred analogously to Example 1d with 92.12 g (0.292 mole) of barium hydroxide in 560 ml of water at 100 C. for 24 hours. Yield: 12.1 g (67%); C10 H10 N2 O2.2H2 O (226.2). NMR (NaOD): delta=4.43 (s, 1H), 6.57 (d, 1H), 7.22 (d, 1H), 7.39 (d, 1H), 7.5 (d, 1H) and 7.65 (s, 1H) ppm.(g) DL-alpha-(t-Butyloxycarbonylamino-alpha-indol-5-yl) acetic acid (6g) 14.0 g (0.0736 mole) of 6f are stirred analogously to Example 1e with 64.2 g (0.294 mole) of di-t-butyl dicarbonate in dioxane, water and 2N sodium hydroxide solution at room temperature for 30 hours. Yield: 13.1 g (73%); C15 H18 N2 O4 (290.3). NMR (DMSO): delta=1.38 (s, 9H), 5.1 (d, 1H), 6.41 (s, 1H), 7.1 (dd, 1H), 7.34 (dd, 1H), 7.4 (d, 1H), 7.55 (s, 1H), 11.1 (s, 1H) and 12.52 (broad s, 1H) ppm.

Molecular Weight:190.20
XLogP3:-1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:190.074227566
Monoisotopic Mass:190.074227566
Topological Polar Surface Area:79.1
Heavy Atom Count:14
Complexity:232
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes