methyl 2-(2-aminoacetamido)acetate hydrochloride

• ChemBase ID: 102486
• Molecular Formular: C5H11ClN2O3
• Molecular Mass: 182.60544
• Monoisotopic Mass: 182.0458199
• SMILES: Cl.COC(=O)CNC(=O)CN
• Canonical SMILES: NCC(=O)NCC(=O)OC.Cl
• InChI: InChI=1S/C5H10N2O3.ClH/c1-10-5(9)3-7-4(8)2-6;/h2-3,6H2,1H3,(H,7,8);1H
• InChIKey: RZOAGVGJBLVHIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-aminoacetamido)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(2-aminoacetamido)acetate hydrochloride
• Synonyms: GLYCYLGLYCINE METHYL ESTER HYDROCHLORIDE; GLYCYLGLYCINE METHYL ESTER HCl

Database IDs

• CAS Number: 2776-60-5; 277-60-5
• PubChem SID: 162088111
• PubChem CID: 13029724

CALCULATED PROPERTIES

• Acid pKa: 12.353836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.5995646
• LogD (pH = 7.4): -2.9163735
• Log P: -2.1068647
• Molar Refractivity: 33.576 cm^3
• Polarizability: 13.550001 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 05213554

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101863

Hydrochloride