3-amino-2-methoxypropanoic acid hydrochloride

• ChemBase ID: 245604
• Molecular Formular: C4H10ClNO3
• Molecular Mass: 155.5801
• Monoisotopic Mass: 155.03492087
• SMILES: C(=O)(C(OC)CN)O.Cl
• Canonical SMILES: COC(C(=O)O)CN.Cl
• InChI: InChI=1S/C4H9NO3.ClH/c1-8-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H
• InChIKey: CUAOFORMZOQXFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2-methoxypropanoic acid hydrochloride
• IUPAC Traditional name: 3-amino-2-methoxypropanoic acid hydrochloride
• Synonyms: 3-amino-2-methoxypropanoic acid hydrochloride

Database IDs

• MDL Number: MFCD23144103
• PubChem SID: 164301514
• PubChem CID: 71757752

CALCULATED PROPERTIES

• Acid pKa: 3.3609893
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2476187
• LogD (pH = 7.4): -3.2477515
• Log P: -3.2459128
• 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

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -3.323

Product Information

• Purity: 95%