(2R)-2-azido-3-hydroxy-2-methylpropanoic acid

• ChemBase ID: 161026
• Molecular Formular: C4H7N3O3
• Molecular Mass: 145.11668
• Monoisotopic Mass: 145.0487411
• SMILES: OC(=O)[C@](CO)(C)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=N[C@@](C(=O)O)(CO)C
• InChI: InChI=1S/C4H7N3O3/c1-4(2-8,3(9)10)6-7-5/h8H,2H2,1H3,(H,9,10)/t4-/m1/s1
• InChIKey: BGPVAMRXOWMKRX-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-azido-3-hydroxy-2-methylpropanoic acid
• IUPAC Traditional name: (2R)-2-azido-3-hydroxy-2-methylpropanoic acid
• Synonyms: (2R)-2-Azido-3-hydroxy-2-methyl-propanoic Acid

Database IDs

• PubChem SID: 162255161
• PubChem CID: 46780534

CALCULATED PROPERTIES

• Acid pKa: 3.3666847
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.4990711
• LogD (pH = 7.4): -3.790773
• Log P: -0.26562917
• Molar Refractivity: 31.3893 cm^3
• Polarizability: 11.766437 Å^3
• Polar Surface Area: 86.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless to Pale Pink Liquid

Safety Information

• Storage Condition: Refrigerator