2-[(2H2)amino](2H2)ethan(2H)oic acid

• ChemBase ID: 145550
• Molecular Formular: C2H5NO2
• Molecular Mass: 75.0666
• Monoisotopic Mass: 75.03202841
• SMILES: C(C(=O)O)N
• Canonical SMILES: NCC(=O)O
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(^2H₂)amino](^2H₂)ethan(^2H)oic acid
• IUPAC Traditional name: [(^2H₂)amino](^2H₂)ethan(^2H)oic acid
• Synonyms: Glycine-d5; Glycine-d5; Glycine-N,N,1,2,2-d5; Aminoacetic Acid-d5; Aciport-d5; Glicoamin-d5; Glycocoll-d5; Glycolixir-d5; Glycosthene-d5; Gyn-Hydralin-d5; NSC 25936-d5; NSC 2916-d5; NSC 54188-d5; Padil-d5; 甘氨酸-d5

Database IDs

• CAS Number: 4896-77-9
• EC Number: 225-518-6
• MDL Number: MFCD00064427
• PubChem SID: 162239755; 24850531
• PubChem CID: 2723970

CALCULATED PROPERTIES

• Acid pKa: 2.307457
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4094565
• LogD (pH = 7.4): -3.4150424
• Log P: -3.4094596
• Molar Refractivity: 16.0034 cm^3
• Polarizability: 6.7782288 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Pale Beige Solid
• Melting Point: 230-234°C; 240 °C (dec.)(lit.)
• Mass Shift: M+5

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 1

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 80.00 by atom % calculation
• Linear Formula: D2NCD2CO2D

DETAILS

Sigma Aldrich - 175838

Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - G615992

Deuterated Glycine (G615990). Non-essential amino acid for human development. An inhibitory neurotransmitter in spinal cord, allosteric regulator of NMDA receptors.

REFERENCES

• Scott, D., et al.: J. Neurosci., 21, 3063 (2001)
• Laube, B., et al.: Neuropharmacology, 47, 994 (2001)
• Papadakis, M., et al.: J. Biol. Chem., 279, 14703 (2001)
• Chen, P., et al.: Mol. Pharmacol., 67, 1470 (2001)
• Wolosker, H., et al.: Mol. Neurobiol., 36