2-amino-4-methoxybutanoic acid

• ChemBase ID: 267145
• Molecular Formular: C5H11NO3
• Molecular Mass: 133.14574
• Monoisotopic Mass: 133.07389322
• SMILES: C(=O)(C(N)CCOC)O
• Canonical SMILES: COCCC(C(=O)O)N
• InChI: InChI=1S/C5H11NO3/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
• InChIKey: KFHRMMHGGBCRIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methoxybutanoic acid
• IUPAC Traditional name: 2-amino-4-methoxybutanoic acid
• Synonyms: 2-amino-4-methoxybutanoic acid

Database IDs

• MDL Number: MFCD01753315
• PubChem SID: 164323055
• PubChem CID: 18713

CALCULATED PROPERTIES

• Acid pKa: 2.3540597
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1848404
• LogD (pH = 7.4): -3.1881123
• Log P: -3.184762
• Molar Refractivity: 31.6576 cm^3
• Polarizability: 12.749567 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.353

Product Information

• Purity: 95%