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155905-78-5

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Basic Information
CAS No.: 155905-78-5
Name: Boc-D-Cyclobutylglycine
Molecular Structure:
Molecular Structure of 155905-78-5 (Boc-D-Cyclobutylglycine)
Formula: C11H19NO4
Molecular Weight: 229.276
Synonyms: Boc-D-Cyclobutylglycine;(R)-tert-Butoxycarbonylamino-cyclobutyl-acetic acid;
Density: 1.169 g/cm3
Boiling Point: 379.1 °C at 760 mmHg
Flash Point: 183.1 °C
PSA: 75.63000
LogP: 2.15530
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Specification

The systematic name of Boc-D-Cyclobutylglycine is (2R)-2-(tert-butoxycarbonylamino)-2-cyclobutyl-acetic acid. With the CAS registry number 155905-78-5, it is also named as (R)-tert-Butoxycarbonylamino-cyclobutyl-acetic acid. The product's category is Pharmacetical. In addition, its molecular formula is C11H19NO4 and its molecular weight is 229.27.

The other characteristics of Boc-D-Cyclobutylglycine can be summarized as: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 5; (4)H bond donors: 2; (5)Freely Rotating Bonds: 5; (6)Nominal mass: 229; (7)Average mass: 229.2729; (8)Monoisotopic mass: 229.131408; (9)Polar Surface Area: 75.63 Å2; (10)Index of Refraction: 1.5; (11)Molar Refractivity: 57.74 cm3; (12)Molar Volume: 196 cm3; (13)Polarizability: 22.89×10-24cm3; (14)Surface Tension: 45.4 dyne/cm; (15)Density: 1.169 g/cm3; (16)Flash Point: 183.1 °C; (17)Enthalpy of Vaporization: 68.85 kJ/mol; (18)Boiling Point: 379.1 °C at 760 mmHg; (19)Vapour Pressure: 8.54E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1
(2)InChI:InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t8-/m1/s1
(3)InChIKey:OHDFGIXTRBDGRB-MRVPVSSYBE
(4)Std. InChI:InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t8-/m1/s1
(5)Std. InChIKey:OHDFGIXTRBDGRB-MRVPVSSYSA-N