Boc-L-Glutamic acid 5-benzylester

The Boc-L-Glutamic acid 5-benzylester, with the CAS registry number 13574-13-5 and EINECS registry number 237-007-5, has the systematic name of (2S)-5-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid (non-preferred name). It belongs to the following product categories: Amino Acids; Glutamic acid [Glu, E]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino acid series. And molecular formula of the chemical is C₁₇H₂₃NO₆. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Boc-L-Glutamic acid 5-benzylester are as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1.51; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 82.14 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 86.13 cm³; (15)Molar Volume: 281.6 cm³; (16)Polarizability: 34.14×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 269.9 °C; (20)Enthalpy of Vaporization: 83.81 kJ/mol; (21)Boiling Point: 522.6 °C at 760 mmHg; (22)Vapour Pressure: 9.49E-12 mmHg at 25°C.

Synthesis methods of Boc-L-Glutamic acid 5-benzylester: It can be produce by benzoic alcohol and tert-Butoxycarbonyl-L-glutamic acid. It is a kind of esterification reaction, and then it also need purification by Crystallization.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC(=O)OCc1ccccc1
(2)InChI: InChI=1/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1
(3)InChIKey: AJDUMMXHVCMISJ-ZDUSSCGKBU