(2S)-2-amino-4-carbamoyl(-13C)butanoic acid

• ChemBase ID: 134638
• Molecular Formular: C5H10N2O3
• Molecular Mass: 147.13715484
• Monoisotopic Mass: 147.07249703
• SMILES: C(C[13C](=O)N)[C@@H](C(=O)O)N
• Canonical SMILES: N[13C](=O)CC[C@@H](C(=O)O)N
• InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i4+1
• InChIKey: ZDXPYRJPNDTMRX-MYXYCAHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-carbamoyl(-^1^3C)butanoic acid
• IUPAC Traditional name: (2S)-2-amino-4-carbamoyl(-^1^3C)butanoic acid
• Synonyms: (S)-2,5-Diamino-5-oxopentanoic Acid-13C; 2-Aminoglutaramic Acid-13C; Acustasin-13C; Aesgen 14-13C; Cebrogen-13C; Glumin-13C; L-2-Aminoglutaramidic Acid-13C; L-Glutamic Acid γ-Αmide-13C; Levoglutamide-13C; NSC 27421-13C; Saforis-13C; Stimulina-13C; γ-Glutamine-13C; L-Glutamine-5-13C; L-Glutamine-5-13C; L-谷氨酰胺-5-13C

Database IDs

• CAS Number: 159680-32-7
• MDL Number: MFCD00190318
• PubChem SID: 162228914
• PubChem CID: 71308842

CALCULATED PROPERTIES

• Acid pKa: 2.1473022
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.001106
• LogD (pH = 7.4): -4.0058823
• Log P: -4.0011334
• Molar Refractivity: 33.1099 cm^3
• Polarizability: 13.317601 Å^3
• Polar Surface Area: 106.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 °C (dec.)(lit.)
• Optical Rotation: [α]25/D +33.0°, c = 2 in 5 M HCl
• Mass Shift: M+1

Safety Information

• German water hazard class: 3

Product Information

• Purity: 99% (CP)
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 147.13 by atom % calculation
• Linear Formula: H2N13CO(CH2)2CH(NH2)CO2H

DETAILS

Sigma Aldrich - 604690

Packaging
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 - G597003

Labelled L-Glutamine (G597000). L-Glutamine is an essential amino acid that is a crucial component of culture media that serves as a major energy source for cells in culture. L-Glutamine is very stable as a dry powder and as a frozen solution. In liquid m

REFERENCES

• Rivett, A., et al.: J. Biol. Chem., 260, 300 (1985)
• Watford, M., et al.: Metabolism, 49, 141 (1985)
• Wilmore, D., et al.: J. Nutr., 131, 2543S (1985)