(S)-2-Benzyl-3-(tert-Butoxycarbonylamino)propanoic acid (189619-55-4)

The CAS register number of (S)-2-Benzyl-3-(tert-Butoxycarbonylamino)propanoic acid is 189619-55-4. It also can be called as (2S)-2-Benzyl-3-[(tert-butoxycarbonyl)amino]propanoic acid and the systematic name about this chemical is (2S)-2-benzyl-3-[(tert-butoxycarbonyl)amino]propanoic acid. The molecular formula about this chemical is C₁₅H₂₁NO₄ and the molecular weight is 279.33.

Physical properties about (S)-2-Benzyl-3-(tert-Butoxycarbonylamino)propanoic acid are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): -0.09; (4)ACD/BCF (pH 5.5): 5.26; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 47.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84Ų; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 75.09 cm³; (14)Molar Volume: 245.1 cm³; (15)Polarizability: 29.76x10^-24cm³; (16)Surface Tension: 43.4 dyne/cm; (17)Enthalpy of Vaporization: 73.62 kJ/mol; (18)Boiling Point: 441.3 °C at 760 mmHg; (19)Vapour Pressure: 1.45E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and it may cause sensitization by skin contact. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC[C@@H](C(=O)O)Cc1ccccc1
(2)InChI: InChI=1/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
(3)InChIKey: ZYCITKXROAFBAR-LBPRGKRZBV
(4)Std. InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
(5)Std. InChIKey: ZYCITKXROAFBAR-LBPRGKRZSA-N