methyl 3-amino-4-methoxy-3-methylbutanoate

• ChemBase ID: 234935
• Molecular Formular: C7H15NO3
• Molecular Mass: 161.1989
• Monoisotopic Mass: 161.10519335
• SMILES: C(C(=O)OC)C(N)(COC)C
• Canonical SMILES: COCC(CC(=O)OC)(N)C
• InChI: InChI=1S/C7H15NO3/c1-7(8,5-10-2)4-6(9)11-3/h4-5,8H2,1-3H3
• InChIKey: KNTILKYWBGWRCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-amino-4-methoxy-3-methylbutanoate
• IUPAC Traditional name: methyl 3-amino-4-methoxy-3-methylbutanoate
• Synonyms: methyl 3-amino-4-methoxy-3-methylbutanoate

Database IDs

• MDL Number: MFCD22056341
• PubChem SID: 164290845
• PubChem CID: 71711114

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.38857
• LogD (pH = 7.4): -2.11105
• Log P: -0.47120053
• Molar Refractivity: 40.8238 cm^3
• Polarizability: 16.639622 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.088

Product Information

• Purity: 95%