ammonium carbamoylformate

• ChemBase ID: 137879
• Molecular Formular: C2H6N2O3
• Molecular Mass: 106.08064
• Monoisotopic Mass: 106.03784206
• SMILES: C(=O)(C(=O)[O-])N.[NH4+]
• Canonical SMILES: NC(=O)C(=O)[O-].[NH4+]
• InChI: InChI=1S/C2H3NO3.H3N/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);1H3
• InChIKey: NGARWWRAFUCMAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium carbamoylformate
• IUPAC Traditional name: ammonium oxamate
• Synonyms: Ammonium oxamate; Oxamic acid ammonium salt; 草氨酸 铵盐

Database IDs

• MDL Number: MFCD07368296
• PubChem SID: 162232140
• PubChem CID: 6099597

CALCULATED PROPERTIES

• Acid pKa: 2.485492
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9762661
• LogD (pH = 7.4): -4.582959
• Log P: -1.0706942
• Molar Refractivity: 27.0979 cm^3
• Polarizability: 6.310887 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Linear Formula: H2NC(O)CO2H · NH3