(3R)-4-amino-3-hydroxybutanoic acid

• ChemBase ID: 291987
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: O=C(O)C[C@@H](O)CN
• Canonical SMILES: NC[C@@H](CC(=O)O)O
• InChI: InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
• InChIKey: YQGDEPYYFWUPGO-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-4-amino-3-hydroxybutanoic acid
• IUPAC Traditional name: (3R)-4-amino-3-hydroxybutanoic acid
• Synonyms: (R)-4-Amino-3-hydroxybutanoic acid

Database IDs

• CAS Number: 7013-07-2
• MDL Number: MFCD02262047
• PubChem SID: 180677518
• PubChem CID: 2733883

CALCULATED PROPERTIES

• Acid pKa: 4.0998235
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8171768
• LogD (pH = 7.4): -3.805873
• Log P: -3.8045974
• Molar Refractivity: 26.6653 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%