(R)-N-BOC-4-Bromophenylalanine

The IUPAC name of (R)-N-Boc-4-bromophenylalanine is (2R)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. With the CAS registry number 79561-82-3, it is also named as (2R)-3-(4-bromophenyl)-2-[(tert-butoxycarbonyl)amino]propanoate. The product's categories are Amino Acids; Phenylalanine Analogs and Other Aromatic alpha Amino Acids; Amino Acid Derivatives; α-Amino. It is off-white crystalline powder which should be storeed at RT..

The other characteristics of (R)-N-Boc-4-bromophenylalanine can be summarized as: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 3.1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Flash Point: 241.2 °C; (13)Enthalpy of Vaporization: 77.82 kJ/mol; (14)Boiling Point: 475.3 °C at 760 mmHg; (15)Vapour Pressure: 7.71E-10 mmHg at 25°C; (16)Rotatable Bond Count: 5; (17)Tautomer Count: 2; (18)Exact Mass: 342.034096; (19)MonoIsotopic Mass: 342.034096; (20)Topological Polar Surface Area: 78.5; (21)Heavy Atom Count: 20; (22)Formal Charge: -1; (23)Complexity: 340; (24)Defined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)C[C@H](C([O-])=O)NC(=O)OC(C)(C)C
2. InChI:InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/p-1/t11-/m1/s1 
3. InChIKey:ULNOXUAEIPUJMK-OBKUNYPXBH
4. Std. InChI:InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/p-1/t11-/m1/s1 
5. Std. InChIKey:ULNOXUAEIPUJMK-LLVKDONJSA-M