1-Pyrrolidinecarboxylicacid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel- (148214-90-8)

The trans-3-Amino-1-Boc-4-hydroxypyrrolidine, with the CAS registry number 148214-90-8, has the systematic name and IUPAC name of tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate. It belongs to the product categories of Aminoacid and Pharmacetical. And the molecular formula of the chemical is C₉H₁₈N₂O₃.

The characteristics of trans-3-Amino-1-Boc-4-hydroxypyrrolidine are as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.79 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 51.972 cm³; (15)Molar Volume: 171.518 cm³; (16)Polarizability: 20.603×10^-24cm³; (17)Surface Tension: 48.099 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 140.535 °C; (20)Enthalpy of Vaporization: 63.717 kJ/mol; (21)Boiling Point: 308.762 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C[C@H](N)[C@@H](O)C1
(2)InChI: InChI=1/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7-/m0/s1
(3)InChIKey: MOZOQDNRVPHFOO-BQBZGAKWBB