methyl (2S)-2,6-bis[(1-ethoxy-1-oxopropan-2-yl)amino]hexanoate

• ChemBase ID: 162288
• Molecular Formular: C17H32N2O6
• Molecular Mass: 360.44578
• Monoisotopic Mass: 360.22603675
• SMILES: C(NCCCC[C@@H](C(=O)OC)NC(C(=O)OCC)C)(C(=O)OCC)C
• Canonical SMILES: CCOC(=O)C(NCCCC[C@@H](C(=O)OC)NC(C(=O)OCC)C)C
• InChI: InChI=1S/C17H32N2O6/c1-6-24-15(20)12(3)18-11-9-8-10-14(17(22)23-5)19-13(4)16(21)25-7-2/h12-14,18-19H,6-11H2,1-5H3/t12?,13?,14-/m0/s1
• InChIKey: RVJUAEUHNJBHLE-RUXDESIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2S)-2,6-bis[(1-ethoxy-1-oxopropan-2-yl)amino]hexanoate
• IUPAC Traditional name: methyl (2S)-2,6-bis[(1-ethoxy-1-oxopropan-2-yl)amino]hexanoate
• Synonyms: (S)-N,N-Bis(2-ethoxy-1-methyl-2-oxoethyl)-L-lysine Methyl Ester; Nα,Nε-Bis(ethoxycarbonylethyl)-L-lysine Methyl Ester

Database IDs

• PubChem SID: 162256423
• PubChem CID: 71314070

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.07746318
• LogD (pH = 7.4): 1.301235
• Log P: 1.399342
• Molar Refractivity: 92.3202 cm^3
• Polarizability: 37.447407 Å^3
• Polar Surface Area: 102.96 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Dimethyl Sulfoxide; Ether; Ethyl Acetate
• Apperance: Yellow Oil

DETAILS

Toronto Research Chemicals - B433590

Lysine derivative.