1-N-Boc-Aminocyclopentanecarboxylic acid

The IUPAC name of 1-N-Boc-Aminocyclopentanecarboxylic acid is 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid. With the CAS registry number 35264-09-6, it is also named as N-Boc-Cycloleucine. The product's category is Pharmacetical. Besides, it is white to off-white crystalline powder, which should be stored in sealed,cool and dry place. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₁₁H₁₉NO₄ and molecular weight is 229.27.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.794; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 75.63 Å²; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 58.107 cm³; (13)Molar Volume: 198.221 cm³; (14)Polarizability: 23.036×10^-24cm³; (15)Surface Tension: 43.669 dyne/cm; (16)Density: 1.157 g/cm³; (17)Flash Point: 181.565 °C; (18)Melting Point: 130-135 °C; (19)Enthalpy of Vaporization: 68.547 kJ/mol; (20)Boiling Point: 376.605 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 1-N-Boc-Aminocyclopentanecarboxylic acid: this chemical can be prepared by the reaction of 1-Amino-cyclopentanecarboxylic acid with di-tert-Butyl dicarbonate.



This reaction needs tetramethylammonium hydroxide and Acetonitrile at ambient temperature for 3 days. The yield is 88 %.

Uses of 1-N-Boc-Aminocyclopentanecarboxylic acid: it can react with L-Tyrosine methyl ester to get 2-[(1-tert-Butoxycarbonylamino-cyclopentanecarbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid methyl ester.



This reaction needs 1,3-Dicyclohexylcarbodiimide, 1-hydroxybenzotriazole and CH₂Cl₂. The yield is 61 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)NC1(CCCC1)C(=O)O
(2)InChI: InChI=1/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
(3)InChIKey: YBZCSKVLXBOFSL-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
(5)Std. InChIKey: YBZCSKVLXBOFSL-UHFFFAOYSA-N