2-(methylamino)acetamide; oxalic acid

• ChemBase ID: 120133
• Molecular Formular: C5H10N2O5
• Molecular Mass: 178.1433
• Monoisotopic Mass: 178.05897143
• SMILES: C(=O)(C(=O)O)O.C(=O)(N)CNC
• Canonical SMILES: OC(=O)C(=O)O.CNCC(=O)N
• InChI: InChI=1S/C3H8N2O.C2H2O4/c1-5-2-3(4)6;3-1(4)2(5)6/h5H,2H2,1H3,(H2,4,6);(H,3,4)(H,5,6)
• InChIKey: RPDMBFPPYBDHIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)acetamide; oxalic acid
• IUPAC Traditional name: 2-(methylamino)acetamide; oxalic acid
• Synonyms: 2-(methylamino)acetamide oxalate

Database IDs

• PubChem SID: 162214486
• PubChem CID: 52997032

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: (COOH)2