L-N-(4'-N-CBZ-PIPERIDINO)PROLINE

The CAS register number of 1-Piperidinecarboxylicacid, 4-[(2S)-2-carboxy-1-pyrrolidinyl]-, 1-(phenylmethyl) ester is 289677-06-1. It also can be called as 4-(2-Carboxy-pyrrolidin-1-yl)-piperidine-1-carboxylic acid benzyl ester and the systematic name about this chemical is 1-{1-[(benzyloxy)carbonyl]piperidin-4-yl}-L-proline. The molecular formula about this chemical is C₁₈H₂₄N₂O₄ and the molecular weight is 332.39. It belongs to the following product category which includes chiral.

Physical properties about 1-Piperidinecarboxylicacid, 4-[(2S)-2-carboxy-1-pyrrolidinyl]-, 1-(phenylmethyl) ester are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): -0.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 59.08 Å²; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 88.22 cm³; (14)Molar Volume: 261.5 cm³; (15)Polarizability: 34.97x10^-24cm³; (16)Surface Tension: 58 dyne/cm; (17)Density: 1.271 g/cm³; (18)Flash Point: 260 °C; (19)Enthalpy of Vaporization: 81.73 kJ/mol; (20)Boiling Point: 506.4 °C at 760 mmHg; (21)Vapour Pressure: 4.48E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N3CCC(N2[C@H](C(=O)O)CCC2)CC3
(2)InChI: InChI=1/C18H24N2O4/c21-17(22)16-7-4-10-20(16)15-8-11-19(12-9-15)18(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,21,22)/t16-/m0/s1
(3)InChIKey: QFKKBRVYWOSFQR-INIZCTEOBL
(4)Std. InChI: InChI=1S/C18H24N2O4/c21-17(22)16-7-4-10-20(16)15-8-11-19(12-9-15)18(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,21,22)/t16-/m0/s1
(5)Std. InChIKey: QFKKBRVYWOSFQR-INIZCTEOSA-N