Name: AC-GLU(OTBU)-OH
SKU: 84192-88-1

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Basic Information

Molecular Structure:
CAS No.:	84192-88-1
Name:	AC-GLU(OTBU)-OH

Formula:	C₁₁H₁₉NO₅
Molecular Weight:	245.276
Synonyms:	N-Acetyl-L-glutamic acid 5-tert-butyl ester;Ac-Glu(OtBu)-OH;(S)-2-Acetamido-5-tert-butoxy-5-oxopentanoic acid;
EINECS:	200-258-5
Density:	1.143 g/cm³
Boiling Point:	464 °C at 760 mmHg
Flash Point:	234.4 °C
PSA:	92.70000
LogP:	1.08850

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Specification

The IUPAC name of L-Glutamic acid,N-acetyl-, 5-(1,1-dimethylethyl) ester is (2S)-2-acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid. With the CAS registry number 84192-88-1, it is also named as N-Acetyl-L-glutamic acid 5-tert-butyl ester. The product's categories are Amino Acids Derivatives; Amino Acids and Derivatives; Amino Acid Derivatives. Besides, it should be stored at 2-8 °C. In addition, its molecular formula is C₁₁H₁₉NO₅ and molecular weight is 245.27.

The other characteristics of L-Glutamic acid,N-acetyl-, 5-(1,1-dimethylethyl) ester can be summarized as: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -2.97; (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: 7; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 59.89 cm³; (15)Molar Volume: 214.5 cm³; (16)Polarizability: 23.74×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.143 g/cm³; (19)Flash Point: 234.4 °C; (20)Enthalpy of Vaporization: 79.48 kJ/mol; (21)Boiling Point: 464 °C at 760 mmHg; (22)Vapour Pressure: 6.77E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)CC[C@@H](C(=O)O)NC(=O)C
(2)InChI: InChI=1/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m0/s1
(3)InChIKey: FALCCLKESWGSNI-QMMMGPOBBU
(4)Std. InChI: InChI=1S/C11H19NO5/c1-7(13)12-8(10(15)16)5-6-9(14)17-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)(H,15,16)/t8-/m0/s1
(5)Std. InChIKey: FALCCLKESWGSNI-QMMMGPOBSA-N