2-amino(1,2-13C2)acetic acid

• ChemBase ID: 148251
• Molecular Formular: C2H5NO2
• Molecular Mass: 78.04531857
• Monoisotopic Mass: 78.03577297
• SMILES: [13CH2]([13C](=O)O)[15NH2]
• Canonical SMILES: [15NH2][13CH2][13C](=O)O
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,2+1,3+1
• InChIKey: DHMQDGOQFOQNFH-VMIGTVKRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino(1,2-^1^3C₂)acetic acid
• IUPAC Traditional name: amino(^1^3C₂)acetic acid
• Synonyms: Glycine-13C2,15N; 2-Aminoacetic Acid-13C2,15N; Aciport-13C2,15N; Aminoethanoic Acid-13C2,15N; Glicoamin-13C2,15N; Glycocoll-13C2,15N; Glycolixir-13C2,15N; Glycosthene-13C2,15N; Gyn-Hydralin-13C2,15N; NSC 25936; NSC 2916-13C2,15N; NSC 54188-13C2,15N; Padil-13C2,15N; Glycine-13C2,15N; 甘氨酸-13C2,15N

Database IDs

• CAS Number: 211057-02-2
• MDL Number: MFCD00083979
• PubChem SID: 24872490; 162242427
• PubChem CID: 16213439

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: 6.549665 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White SOlid
• Melting Point: 229-231°C; 240 °C (dec.)(lit.)
• Mass Shift: M+3

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 77.99 by atom % calculation
• Linear Formula: H215N13CH213CO2H

DETAILS

Sigma Aldrich - 489522

Packaging
500 mg 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 - G615993

Labelled analogue of Glycine, a non-essential amino acid for human development. Glycine is 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, 152