methyl 2-amino-3-methoxy-2-methylpropanoate

• ChemBase ID: 237232
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(C(=O)OC)(N)(COC)C
• Canonical SMILES: COCC(C(=O)OC)(N)C
• InChI: InChI=1S/C6H13NO3/c1-6(7,4-9-2)5(8)10-3/h4,7H2,1-3H3
• InChIKey: DCTDZOZFFDUTRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-3-methoxy-2-methylpropanoate
• IUPAC Traditional name: methyl 2-amino-3-methoxy-2-methylpropanoate
• Synonyms: methyl 2-amino-3-methoxy-2-methylpropanoate

Database IDs

• MDL Number: MFCD16142703
• PubChem SID: 164293142
• PubChem CID: 57878554

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8700694
• LogD (pH = 7.4): -0.5390275
• Log P: -0.40383485
• Molar Refractivity: 36.2746 cm^3
• Polarizability: 14.810926 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.539

Product Information

• Purity: 95%