methyl 2-aminopropanoate

• ChemBase ID: 255812
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C(=O)(C(N)C)OC
• Canonical SMILES: COC(=O)C(N)C
• InChI: InChI=1S/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3
• InChIKey: DWKPPFQULDPWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-aminopropanoate
• IUPAC Traditional name: methyl 2-aminopropanoate
• Synonyms: methyl 2-aminopropanoate

Database IDs

• MDL Number: MFCD00272232
• PubChem SID: 164311722
• PubChem CID: 111314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2518427
• LogD (pH = 7.4): -0.70442027
• Log P: -0.43281725
• Molar Refractivity: 25.2664 cm^3
• Polarizability: 10.418138 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): -0.219

Product Information

• Purity: 95%