rac-(2R)-2-amino-4-carbamoylbutanoic acid

• ChemBase ID: 796568
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: N[C@@H](CCC(=O)N)C(=O)O
• Canonical SMILES: NC(=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
• InChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rac-(2R)-2-amino-4-carbamoylbutanoic acid
• IUPAC Traditional name: rac-D-glutamine
• Synonyms: DL-GlutaMine

Database IDs

• CAS Number: 585-21-7

CALCULATED PROPERTIES

• Acid pKa: 2.1471426
• 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

Product Information

• Purity: 97%