BOC-(S)-3-AMINO-4-(1-NAPHTHYL)-BUTYRIC ACID

The 1-Naphthalenebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)-, with CAS registry number 219297-09-3, belongs to the following product categories: (1)3-Amino-4-phenylbutyric Acid Analogs; (2)3-Amino-4-phenylbutanoic Acid Analogs; (3)B-Amino. It has the systematic name of (3S)-3-[(tert-butoxycarbonyl)amino]-4-naphthalen-1-ylbutanoic acid. And the chemical formula of this chemical is C₁₉H₂₃NO₄.

Physical properties of 1-Naphthalenebutanoicacid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)-: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 73.46; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 331.34; (8)ACD/KOC (pH 7.4): 5.46; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 92.93 cm³; (15)Molar Volume: 279.2 cm³; (16)Polarizability: 36.84×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 273.1 °C; (20)Enthalpy of Vaporization: 84.49 kJ/mol; (21)Boiling Point: 527.9 °C at 760 mmHg; (22)Vapour Pressure: 5.65E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](CC(=O)O)Cc2cccc1ccccc12
(2)InChI: InChI=1/C19H23NO4/c1-19(2,3)24-18(23)20-15(12-17(21)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1
(3)InChIKey: JXDXPRAUFACOHG-HNNXBMFYBA
(4)Std. InChI: InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-15(12-17(21)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1
(5)Std. InChIKey: JXDXPRAUFACOHG-HNNXBMFYSA-N