The 1-Pyrrolidineaceticacid, 2-(ethoxycarbonyl)-a-oxo-, ethyl ester, (2S)- is an organic compound with the formula C11H17NO5. The systematic name of this chemical is ethyl (2S)-1-(2-ethoxy-2-oxo-acetyl)pyrrolidine-2-carboxylate. With the CAS registry number 273925-06-7, it is also named as 2-(Ethoxycarbonyl)-α-oxo-1-pyrrolidine acetic acid ethyl ester.
Physical properties about 1-Pyrrolidineaceticacid, 2-(ethoxycarbonyl)-a-oxo-, ethyl ester, (2S)- are: (1)ACD/LogP: 0.10; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): 0.1; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.91 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 57.84 cm3; (9)Molar Volume: 201.6 cm3; (10)Polarizability: 22.93×10-24cm3; (11)Surface Tension: 44.7 dyne/cm; (12)Density: 1.206 g/cm3; (13)Flash Point: 148.9 °C; (14)Enthalpy of Vaporization: 56.45 kJ/mol; (15)Boiling Point: 322.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000275 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H]1CCCN1C(=O)C(=O)OCC
(2)InChI: InChI=1/C11H17NO5/c1-3-16-10(14)8-6-5-7-12(8)9(13)11(15)17-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1
(3)InChIKey: FBSAJSSJPAVUSO-QMMMGPOBBC
(4)Std. InChI: InChI=1S/C11H17NO5/c1-3-16-10(14)8-6-5-7-12(8)9(13)11(15)17-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1
(5)Std. InChIKey: FBSAJSSJPAVUSO-QMMMGPOBSA-N
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