L-Tyrosine,O-(1,1-dimethylethyl)- (18822-59-8)

The L-Tyrosine,O-(1,1-dimethylethyl)- is an organic compound with the formula C₁₃H₁₉NO₃. The IUPAC name of this chemical is (2S)-2-azaniumyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate. With the CAS registry number 18822-59-8, it is also named as (S)-2-Amino-3-(4-tert-butoxy-phenyl)-propionic acid. The product's categories are Amino Acid Derivatives; Amino Acids; Tyrosine [Tyr, Y]; Amino Acids and Derivatives; Amino Acid Derivatives; Peptide Synthesis; Tyrosine.

Physical properties about L-Tyrosine,O-(1,1-dimethylethyl)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.27; (6)ACD/KOC (pH 7.4): 1.26; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 46.53 Å²; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 66.03 cm³; (13)Molar Volume: 211 cm³; (14)Polarizability: 26.17×10^-24cm³; (15)Surface Tension: 43.8 dyne/cm; (16)Density: 1.124 g/cm³; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 65.61 kJ/mol; (19)Boiling Point: 374.5 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1
(2)InChI: InChI=1/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
(3)InChIKey: SNZIFNXFAFKRKT-NSHDSACABA
(4)Std. InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
(5)Std. InChIKey: SNZIFNXFAFKRKT-NSHDSACASA-N