2-[(2R)-2-amino-4-methylpentanamido]acetic acid

• ChemBase ID: 107599
• Molecular Formular: C8H16N2O3
• Molecular Mass: 188.22424
• Monoisotopic Mass: 188.11609238
• SMILES: CC(C)C[C@@H](N)C(=O)NCC(=O)O
• Canonical SMILES: CC(C[C@H](C(=O)NCC(=O)O)N)C
• InChI: InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m1/s1
• InChIKey: LESXFEZIFXFIQR-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-2-amino-4-methylpentanamido]acetic acid
• IUPAC Traditional name: [(2R)-2-amino-4-methylpentanamido]acetic acid
• Synonyms: D-Leu-Gly; D-LEUCYLGLYCINE; L-LEUCYGLYCINE

Database IDs

• CAS Number: 997-05-7
• MDL Number: MFCD00067198
• PubChem SID: 162093669; 24896342
• PubChem CID: 1551342

CALCULATED PROPERTIES

• Acid pKa: 3.943141
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.7002342
• LogD (pH = 7.4): -2.726365
• Log P: -2.6945624
• Molar Refractivity: 46.9744 cm^3
• Polarizability: 18.775614 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

DETAILS

MP Biomedicals - 05204299

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05208259

MP Biomedicals Rare Chemical collection