methyl 2-carbamimidoylacetate

• ChemBase ID: 309572
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: C(C(=N)N)C(=O)OC
• Canonical SMILES: COC(=O)CC(=N)N
• InChI: InChI=1S/C4H8N2O2/c1-8-4(7)2-3(5)6/h2H2,1H3,(H3,5,6)
• InChIKey: ZPIBCEJYARVVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-carbamimidoylacetate
• IUPAC Traditional name: methyl 2-carbamimidoylacetate
• Synonyms: methyl 3-amino-3-iminopropanoate

Database IDs

• MDL Number: MFCD18917028

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3372698
• LogD (pH = 7.4): -3.2978497
• Log P: -0.92233765
• Molar Refractivity: 38.1732 cm^3
• Polarizability: 10.809493 Å^3
• Polar Surface Area: 76.17 Å^2