N-Boc-(S)-cyclopropylalanine benzyl ester (406681-37-6)

The N-Boc-(S)-cyclopropylalanine benzyl ester, with cas registry number 406681-37-6,  has the systematic name of benzyl (2S)-3-cyclopropyl-2-(methoxycarbonylamino)propanoate; ethane. When use this chemical, avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.9; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 64.63 Å²; (9)Enthalpy of Vaporization: 68.41 kJ/mol; (10)Vapour Pressure: 1.46E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](CC1CC1)C(=O)OCc2ccccc2)OC.CC
(2)InChI: InChI=1/C15H19NO4.C2H6/c1-19-15(18)16-13(9-11-7-8-11)14(17)20-10-12-5-3-2-4-6-12;1-2/h2-6,11,13H,7-10H2,1H3,(H,16,18);1-2H3/t13-;/m0./s1
(3)InChIKey: ZHIAMCIGDLWOJR-ZOWNYOTGBZ
(4)Std. InChI: InChI=1S/C15H19NO4.C2H6/c1-19-15(18)16-13(9-11-7-8-11)14(17)20-10-12-5-3-2-4-6-12;1-2/h2-6,11,13H,7-10H2,1H3,(H,16,18);1-2H3/t13-;/m0./s1
(5)Std. InChIKey: ZHIAMCIGDLWOJR-ZOWNYOTGSA-N