(1S,2R)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID

The (1S,2R)-1-[[(tert-Butoxy)carbonyl]amino]-2-phenylcyclopropanecarboxylic acid, with the CAS registry number 151910-11-1, is also known as (1S,2R)-trans-1-(Boc-amino)-2-phenylcyclopropanecarboxylic acid. This chemical's molecular formula is C₁₅H₁₉NO₄ and molecular weight is 277.32. What's more, its systematic name is also called (1S,2R)-1-[(tert-Butoxycarbonyl)amino]-2-phenylcyclopropanecarboxylic acid.

Physical properties about this chemical are: (1) ACD/LogP: 2.39; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.66; (4) ACD/LogD (pH 7.4): -0.12; (5) ACD/BCF (pH 5.5): 7.2; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 88.56; (8) ACD/KOC (pH 7.4): 1.45; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 55.84 Å²; (13) Index of Refraction: 1.564; (14) Molar Refractivity: 73.53 cm³; (15) Molar Volume: 225.8 cm³; (16) Surface Tension: 50.2 dyne/cm; (17) Density: 1.22 g/cm³; (18) Flash Point: 226.1 °C; (19) Enthalpy of Vaporization: 74.73 kJ/mol; (20) Boiling Point: 450.3 °C at 760 mmHg; (21) Vapour Pressure: 6.78E-09 mmHg at 25 °C; (22) Melting Point: 89-91 °C.

When you are dealing with (1S,2R)-1-[[(tert-Butoxy)carbonyl]amino]-2-phenylcyclopropanecarboxylic acid, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. In case of contact with eyes, you should 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)N[C@]2(C(=O)O)[C@@H](c1ccccc1)C2
(2) InChI: InChI=1/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/t11-,15+/m1/s1
(3) InChIKey: VMOVYASDUSWBOL-ABAIWWIYBY