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1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)- (138423-86-6)

Identification
Name:1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
Synonyms:1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-;(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid;
CAS:138423-86-6
Molecular Formula: C12H21NO4
Molecular Weight: 0
InChI: InChI=1/C12H21NO4/c1-11(2,3)17-10(16)13-7-12(4,5)6-8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1
Molecular Structure: (C12H21NO4) 1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-;(S)-1-(te...
Properties
Density:1.117g/cm3
Refractive index:1.483
Specification:

The (S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid with the CAS number 138423-86-6 is also called 1,2-Pyrrolidinedicarboxylicacid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-. The IUPAC name is (2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid. Its molecular formula is C12H21NO4. 

The properties of the chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 66.84 Å2; (8)Index of Refraction: 1.483; (9)Molar Refractivity: 62.25 cm3; (10)Molar Volume: 217.6 cm3; (11)Polarizability: 24.68×10-24cm3; (12)Surface Tension: 39.5 dyne/cm; (13)Enthalpy of Vaporization: 64.74 kJ/mol; (14)Vapour Pressure: 1.12×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CC(N(C1)C(=O)OC(C)(C)C)C(=O)O)C
(2)InChI: InChI=1/C12H21NO4/c1-11(2,3)17-10(16)13-7-12(4,5)6-8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1
(3)InChIKey: ACHKRIQLSCPKKK-QMMMGPOBBK

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