(1S,3AR,6AS)-OCTAHYDRO-CYCLOPENTA[C]PYRROLE-1-CARBOXYLIC ACID ETHYL ESTER

The (1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate, with the CAS registry number 402958-25-2, is also known as Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1S,3aR,6aS)-. It belongs to the product categories of Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₀H₁₇NO₂ and molecular weight is 183.25. What's more, both its IUPAC name and systematic name are the same which is called Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate. It can be used as a bicyclic pyrrole derivative used in the preparation of hepatitis C virus (HCV) protease inhibitors.

Physical properties about (1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate are: (1)ACD/LogP: 1.41±0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.04; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 49.3±0.3 cm³; (15)Molar Volume: 173.1±3.0 cm³; (16)Polarizability: 19.5±0.5×10^-24cm³; (17)Surface Tension: 34.4±3.0 dyne/cm; (18)Density: 1.1±0.1 g/cm³; (19)Flash Point: 107.9±22.6 °C; (20)Enthalpy of Vaporization: 49.2±3.0 kJ/mol; (21)Boiling Point: 254.8±23.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1
(2) InChI: InChI=1S/C10H17NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m0/s1
(3) InChIKey: BFZUEHILBXRWGT-CIUDSAMLSA-N