ethyl 2-(2-aminoacetamido)acetate

• ChemBase ID: 107409
• Molecular Formular: C6H12N2O3
• Molecular Mass: 160.17108
• Monoisotopic Mass: 160.08479225
• SMILES: CCOC(=O)CNC(=O)CN
• Canonical SMILES: CCOC(=O)CNC(=O)CN
• InChI: InChI=1S/C6H12N2O3/c1-2-11-6(10)4-8-5(9)3-7/h2-4,7H2,1H3,(H,8,9)
• InChIKey: LFAVEINQLWIXRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-aminoacetamido)acetate
• IUPAC Traditional name: ethyl 2-(2-aminoacetamido)acetate
• Synonyms: GLYCYLGLYCINE ETHYL ESTER HCl REAG

Database IDs

• CAS Number: 627-74-7
• PubChem SID: 162093452
• PubChem CID: 124706

CALCULATED PROPERTIES

• Acid pKa: 12.478626
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2427645
• LogD (pH = 7.4): -2.5595636
• Log P: -1.7500567
• Molar Refractivity: 38.3246 cm^3
• Polarizability: 15.367597 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203587

MP Biomedicals Rare Chemical collection