N-alpha-L-(Butoxycarbonyl)-2,3-diaminopropionic acid

The L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 73259-81-1, is also known as 3-Amino-(tert-butoxycarbonyl)-L-alanine and (S)-3-Amino-2-(tert-butoxycarbonylamino)propanoic acid. It belongs to the product category of Amino Acids. This chemical's molecular formula is C₈H₁₆N₂O₄ and molecular weight is 204.22. What's more, its IUPAC name is called (2S)-3-Azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. This chemical is white powder. When you are dealing with this chemical, you should avoid contacting with skin and eyes. It should be kept in a cool and dry place.

Physical properties about L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]- are: (1) ACD/LogP: 0.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.66; (4) ACD/LogD (pH 7.4): -1.68; (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: 6; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 59.08 Å²; (13) Index of Refraction: 1.488; (14) Molar Refractivity: 49.5 cm³; (15) Molar Volume: 171.6 cm³; (16) Surface Tension: 45.7 dyne/cm; (17) Density: 1.189 g/cm³; (18) Flash Point: 174.2 °C; (19) Enthalpy of Vaporization: 67.07 kJ/mol; (20) Boiling Point: 364.4 °C at 760 mmHg; (21) Vapour Pressure: 2.64E-06 mmHg at 25°C; (22) Melting Point: 210 °C.

Preparation of L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]-:this chemical can be prepared by N-t-Butyloxycarbonyl-D-asparagine.

This reaction needs reagent Iodosobenzene Diacetate and solvent Ethyl acetate, Acetonitrile,
H₂O.

Uses of L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]-: it can react with Pyran-4-one to give N-(tert-Butoxycarbonyl)-D-3-deoxymimosine.

The reaction occurs with reagent Ethanol and other condition of heating for 10 hours. The yield is 87.3%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CN
(2) InChI: InChI=1/C8H16N2O4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1
(3) InChIKey: KRJLRVZLNABMAT-YFKPBYRVBJ