Chemical Properties of «alpha»-Aminopimelic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

«alpha»-Aminopimelic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

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InChI
InChI=1S/C20H37NO6/c1-8-25-20(24)21-17(19(23)27-16(7)14(4)5)11-9-10-12-18(22)26-15(6)13(2)3/h13-17H,8-12H2,1-7H3,(H,21,24)/t15-,16-,17?/m1/s1
InChI Key
YCHVHIFLTBDCOA-YNPPLXCJSA-N
Formula
C20H37NO6
SMILES
CCOC(=O)NC(CCCCC(=O)OC(C)C(C)C)C(=O)OC(C)C(C)C
Molecular Weight1
387.51
Sources

Physical Properties

Property Value Unit Source
Δf -507.05 kJ/mol Joback Calculated Property
Δfgas -1163.46 kJ/mol Joback Calculated Property
Δfus 43.40 kJ/mol Joback Calculated Property
Δvap 92.08 kJ/mol Joback Calculated Property
logPoct/wat 3.84 Crippen Calculated Property
Pc 1151.44 kPa Joback Calculated Property
Tboil 933.84 K Joback Calculated Property
Tc 1143.53 K Joback Calculated Property
Tfus 509.30 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1085.03 J/mol×K 933.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 5
-O- (nonring) 3
-CH3 7
-CH2- 5
>NH 1
>C=O (nonring) 3

Similar Compounds

D-Lysine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Lysine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-«alpha»-Aminoadipic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-«alpha»-Aminoadipic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Ornithine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Ornithine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Glutamic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Glutamic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-norvaline, n-butoxycarbonyl-, isobutyl ester. L-norvaline, n-isobutoxycarbonyl-, isobutyl ester. L-norvaline, n-ethoxycarbonyl-, pentadecyl ester. L-norvaline, n-ethoxycarbonyl-, hexadecyl ester. L-norvaline, n-isobutoxycarbonyl-, propyl ester.

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