2-aminoacetamide

• ChemBase ID: 3294
• Molecular Formular: C2H6N2O
• Molecular Mass: 74.08184
• Monoisotopic Mass: 74.04801282
• SMILES: NCC(=O)N
• Canonical SMILES: NCC(=O)N
• InChI: InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)
• InChIKey: BEBCJVAWIBVWNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoacetamide
• IUPAC Traditional name: glycine amide; glycinamide
• Synonyms: Glycinamid; 2-Aminoacetamide; Glycinamide

Database IDs

• CAS Number: 598-41-4
• MDL Number: MFCD01859715
• PubChem SID: 46506909; 160966736
• PubChem CID: 69020

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.374952
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4525604
• LogD (pH = 7.4): -2.7703586
• Log P: -1.9544182
• Molar Refractivity: 17.8256 cm^3
• Polarizability: 7.1859527 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.49
• LOG S: 0.87
• Solubility (Water): 5.44e+02 g/l

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%

DETAILS

DrugBank - DB03636

Drug information: experimental