3-amino-N-(2-methoxyethyl)propanamide

• ChemBase ID: 262230
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: C(=O)(CCN)NCCOC
• Canonical SMILES: COCCNC(=O)CCN
• InChI: InChI=1S/C6H14N2O2/c1-10-5-4-8-6(9)2-3-7/h2-5,7H2,1H3,(H,8,9)
• InChIKey: YGAGDVBSBLXYNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-methoxyethyl)propanamide
• IUPAC Traditional name: 3-amino-N-(2-methoxyethyl)propanamide
• Synonyms: 3-amino-N-(2-methoxyethyl)propanamide

Database IDs

• MDL Number: MFCD09726126
• PubChem SID: 164318140
• PubChem CID: 16783560

CALCULATED PROPERTIES

• Acid pKa: 15.971683
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4748087
• LogD (pH = 7.4): -3.2522588
• Log P: -1.5407048
• Molar Refractivity: 38.4652 cm^3
• Polarizability: 15.233851 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.895

Product Information

• Purity: 95%