2-(2-aminoacetamido)acetic acid hydrochloride

• ChemBase ID: 102485
• Molecular Formular: C4H9ClN2O3
• Molecular Mass: 168.57886
• Monoisotopic Mass: 168.03016984
• SMILES: Cl.NCC(=O)NCC(=O)O
• Canonical SMILES: NCC(=O)NCC(=O)O.Cl
• InChI: InChI=1S/C4H8N2O3.ClH/c5-1-3(7)6-2-4(8)9;/h1-2,5H2,(H,6,7)(H,8,9);1H
• InChIKey: YHBAZQDEMYQPJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoacetamido)acetic acid hydrochloride
• IUPAC Traditional name: gly-gly hydrochloride
• Synonyms: Gly-Gly hydrochloride; GLYCYLGLYCINE HYDROCHLORIDE

Database IDs

• CAS Number: 23273-91-8
• PubChem SID: 162088471
• PubChem CID: 83095

CALCULATED PROPERTIES

• Acid pKa: 3.5200691
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.518133
• LogD (pH = 7.4): -4.5818744
• Log P: -4.5175953
• Molar Refractivity: 28.806898 cm^3
• Polarizability: 11.510928 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02101862

Crystalline