(2R)-2-amino-3-(tridecyloxy)propanoic acid hydrochloride

• ChemBase ID: 182416
• Molecular Formular: C16H34ClNO3
• Molecular Mass: 323.89906
• Monoisotopic Mass: 323.22272163
• SMILES: C(=O)([C@H](N)COCCCCCCCCCCCCC)O.Cl
• Canonical SMILES: CCCCCCCCCCCCCOC[C@H](C(=O)O)N.Cl
• InChI: InChI=1S/C16H33NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15(17)16(18)19;/h15H,2-14,17H2,1H3,(H,18,19);1H/t15-;/m1./s1
• InChIKey: GHXSWIVYOGDDTJ-XFULWGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(tridecyloxy)propanoic acid hydrochloride
• IUPAC Traditional name: (2R)-2-amino-3-(tridecyloxy)propanoic acid hydrochloride

Database IDs

• PubChem SID: 164238326
• PubChem CID: 52993246

CALCULATED PROPERTIES

• Acid pKa: 2.3710918
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0820045
• LogD (pH = 7.4): 2.0672464
• Log P: 2.081766
• Molar Refractivity: 82.0748 cm^3
• Polarizability: 32.92592 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds