2-amino-4-hydroxybutanoic acid

• ChemBase ID: 102520
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: NC(CCO)C(=O)O
• Canonical SMILES: OCCC(C(=O)O)N
• InChI: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
• InChIKey: UKAUYVFTDYCKQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-hydroxybutanoic acid
• IUPAC Traditional name: homoserine
• Synonyms: DL-2-Amino-4-hydroxybutyric acid; HVA; DL-HOMOSERINE; D-Homoserine; 2-amino-4-hydroxybutanoic acid; 2-Amino-4-hydroxybutyric Acid; D,L-Homoserine

Database IDs

• CAS Number: 1927-25-9; 6027-21-0
• EC Number: 217-661-8
• MDL Number: MFCD00077786; MFCD00002618
• PubChem SID: 162088116
• PubChem CID: 779

CALCULATED PROPERTIES

• Acid pKa: 2.2233198
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8276682
• LogD (pH = 7.4): -3.8344793
• Log P: -3.8277326
• Molar Refractivity: 26.9064 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Hot Methanol; Water
• Apperance: Off-White Solid
• Melting Point: 176-178°C
• Hydrophobicity(logP): -3.116

Safety Information

• Storage Condition: -20°C Freezer; Room Temperature (15-30°C)

Product Information

• Purity: 95%; 95+%

DETAILS

MP Biomedicals - 02101982

Crystalline