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254881-77-1

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Basic Information
CAS No.: 254881-77-1
Name: (2R,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate
Article Data: 7
Molecular Structure:
Molecular Structure of 254881-77-1 ((2R,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate)
Formula: C11H20N2O4
Molecular Weight: 244.291
Synonyms: Methyl(2R,4S)-1-(tert-butoxycarbonyl)-4-aminopyrrolidine-2-carboxylate;
Density: 1.152 g/cm3
Boiling Point: 320.7 °C at 760 mmHg
Flash Point: 147.7 °C
PSA: 81.86000
LogP: 1.13430
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Specification

The (2R,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate with the cas number 254881-77-1 is also called 1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-. The systematic name is 1-tert-butyl 2-methyl (2R,4S)-4-aminopyrrolidine-1,2-dicarboxylate. Its molecular formula is C11H20N2O4.

The properties of the chemical are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -1.54; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 61.33 cm3; (15)Molar Volume: 212.1 cm3; (16)Polarizability: 24.31×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Enthalpy of Vaporization: 56.24 kJ/mol; (19)Vapour Pressure: 0.000313 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)OC)C[C@H](N)C1
(2)InChI: InChI=1/C11H20N2O4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t7-,8+/m0/s1
(3)InChIKey: IOLQYMRFIIVPMQ-JGVFFNPUBB