1-Pyrrolidinecarboxylicacid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4S)- (190792-74-6)

The (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine, with the CAS registry number 190792-74-6, is also known as (3S,4S)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate and (3S,4S)-3-Amino-4-hydroxypyrrolidine-1-carboxylic acid tert-butyl ester. It belongs to the product category of Aminoacid. This chemical's molecular formula is C₉H₁₈N₂O₃ and molecular weight is 202.25. What's more, its systematic name is called tert-Butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate.

Physical properties about (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine are: (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) Surface Tension: 48.099 dyne/cm; (17) Density: 1.179 g/cm³; (18) Flash Point: 140.535 °C; (19) Enthalpy of Vaporization: 63.717 kJ/mol; (20) Boiling Point: 308.762 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into 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