(2S)-2-amino-3-methoxypropanoic acid hydrochloride

• ChemBase ID: 795848
• Molecular Formular: C4H10ClNO3
• Molecular Mass: 155.5801
• Monoisotopic Mass: 155.03492087
• SMILES: Cl.C(=O)([C@H](COC)N)O
• Canonical SMILES: COC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C4H9NO3.ClH/c1-8-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
• InChIKey: NLDVBPFPOCWZCE-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-methoxypropanoic acid hydrochloride
• IUPAC Traditional name: (2S)-2-amino-3-methoxypropanoic acid hydrochloride
• Synonyms: (S)-2-AMino-3-Methoxypropanoic acid hydrochloride

Database IDs

• CAS Number: 336100-47-1

CALCULATED PROPERTIES

• Acid pKa: 2.2052925
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2437303
• LogD (pH = 7.4): -3.258556
• Log P: -3.244027
• Molar Refractivity: 26.7922 cm^3
• Polarizability: 10.934595 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%