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116339-45-8

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Basic Information
CAS No.: 116339-45-8
Name: 2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPYRROLIDIN-1-YL)ACETICACID
Article Data: 6
Molecular Structure:
Molecular Structure of 116339-45-8 (2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPYRROLIDIN-1-YL)ACETICACID)
Formula: C11H18N2O5
Molecular Weight: 258.274
Synonyms: 2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid;
Density: 1.27 g/cm3
Boiling Point: 489.159 °C at 760 mmHg
Flash Point: 249.635 °C
PSA: 95.94000
LogP: 0.52540
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Specification

The 1-Pyrrolidineaceticacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, with the CAS registry number 116339-45-8, is also known as 2-(3-(tert-Butoxycarbonylamino)-2-oxopyrrolidin-1-yl)acetic acid. It belongs to the product category of Chiral chemicals. This chemical's molecular formula is C11H18N2O5 and molecular weight is 258.27. What's more, its systematic name is {3-[(tert-butoxycarbonyl)amino]-2-oxopyrrolidin-1-yl}acetic acid.

Physical properties of 1-Pyrrolidineaceticacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo- are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 95.94 Å2; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 62.075 cm3; (13)Molar Volume: 201.911 cm3; (14)Polarizability: 24.608×10-24 cm3; (15)Surface Tension: 52.205 dyne/cm; (16)Density: 1.279 g/cm3; (17)Flash Point: 249.635 °C; (18)Enthalpy of Vaporization: 82.723 kJ/mol; (19)Boiling Point: 489.159 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1CCC(NC(=O)OC(C)(C)C)C1=O
(2)InChI: InChI=1/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)
(3)InChIKey: UYBMLDXQOFMMED-UHFFFAOYAH