2-(aminooxy)(2H2)acetic acid

• ChemBase ID: 163768
• Molecular Formular: C2H5NO3
• Molecular Mass: 91.066
• Monoisotopic Mass: 91.02694303
• SMILES: NOCC(=O)O
• Canonical SMILES: NOCC(=O)O
• InChI: InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: NQRKYASMKDDGHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminooxy)(^2H₂)acetic acid
• IUPAC Traditional name: (aminooxy)(^2H₂)acetic acid
• Synonyms: Aminooxyacetic Acid-d2 Hemihydrochloride; 2-(Aminooxy)acetic Acid-d2 Hemihydrochloride; Carboxymethoxyamine-d2 Hemihydrochloride; Carboxymethoxylamine-d2 Hemihydrochloride; O-Carboxymethylhydroxylamine-d2 Hemihydrochloride; Carboxymethoxyamine-d2 Hemihydrochloride

Database IDs

• PubChem SID: 162257903
• PubChem CID: 45038565

CALCULATED PROPERTIES

• Acid pKa: 3.1585097
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0627282
• LogD (pH = 7.4): -4.300726
• Log P: -2.2156832
• Molar Refractivity: 18.4156 cm^3
• Polarizability: 7.3367243 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-153°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere