2-(2-amino-3-hydroxypropanamido)acetic acid

• ChemBase ID: 104614
• Molecular Formular: C5H10N2O4
• Molecular Mass: 162.1439
• Monoisotopic Mass: 162.06405681
• SMILES: NC(CO)C(=O)NCC(=O)O
• Canonical SMILES: OCC(C(=O)NCC(=O)O)N
• InChI: InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)
• InChIKey: WOUIMBGNEUWXQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-3-hydroxypropanamido)acetic acid
• IUPAC Traditional name: (2-amino-3-hydroxypropanamido)acetic acid
• Synonyms: SER-GLY

Database IDs

• CAS Number: 687-63-8
• PubChem SID: 162091707
• PubChem CID: 136488

CALCULATED PROPERTIES

• Acid pKa: 3.439107
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -4.995361
• LogD (pH = 7.4): -5.114209
• Log P: -4.9971623
• Molar Refractivity: 34.8445 cm^3
• Polarizability: 14.025267 Å^3
• Polar Surface Area: 112.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156608

Purity: 99%
Crystalline