AC-DL-PRO-OH

The N-Acetylproline, with the CAS registry number 1074-79-9, is also known as N-Acetyl-DL-proline. It belongs to the product categories of Acetylgroup; Pyrrole; A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₇H₁₁NO₃ and molecular weight is 157.17. What's more, its IUPAC name is 1-acetylpyrrolidine-2-carboxylic acid. 

Physical properties of N-Acetylproline are: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -4.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 37.32 cm³; (15)Molar Volume: 123.2 cm³; (16)Polarizability: 14.79×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 175.3 °C; (20)Enthalpy of Vaporization: 67.28 kJ/mol; (21)Boiling Point: 366.2 °C at 760 mmHg; (22)Vapour Pressure: 2.31E-06 mmHg at 25°C.

Preparation of N-Acetylproline: this chemical can be prepared by N-acetyl-L-proline benzyl ester. This reaction will need reagent H₂ and solvent ethanol with the reaction time of 1 hour. This reaction will also need catalyst Pd/C (5 percent). The yield is about 78%.

Uses of N-Acetylproline: it can be used to produce 2-[(1-acetyl-pyrrolidine-2-carbonyl)-amino]-malonic acid dimethyl ester. It will need reagent 1,3-dicyclohexylcarbodiimide and solvents CH₂Cl₂, triethylamine. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N1CCCC1C(=O)O
(2)InChI: InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
(3)InChIKey: GNMSLDIYJOSUSW-UHFFFAOYSA-N