(2R)-2-acetamido-4-methylpentanoic acid

• ChemBase ID: 70211
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: C(=O)([C@H](NC(=O)C)CC(C)C)O
• Canonical SMILES: CC(C[C@H](C(=O)O)NC(=O)C)C
• InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1
• InChIKey: WXNXCEHXYPACJF-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-acetamido-4-methylpentanoic acid
• IUPAC Traditional name: D-leucine, N-acetyl-
• Synonyms: N-Acetyl-D-leucine; N-Acetyl-D-leucine; Ac-D-Leu-OH; N-乙酰基-D-亮氨酸

Database IDs

• CAS Number: 19764-30-8
• MDL Number: MFCD00066069
• PubChem SID: 24890460; 162035934
• PubChem CID: 1241420

CALCULATED PROPERTIES

• Acid pKa: 4.2017617
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8227732
• LogD (pH = 7.4): -2.5380116
• Log P: 0.49424544
• Molar Refractivity: 43.6147 cm^3
• Polarizability: 17.246698 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 95+%; 99%

DETAILS

Sigma Aldrich - A0876

Biochem/physiol Actions
N-Acetyl-D-leucine is a substrate for D-aminoacylase from Alcaligenes xylosoxydans subsp. xylosoxydans A-6. N-Acetyl-D-leucine is used to help differentiate members of the amidohydrolase enzyme superfamily. It is a preferred substrate of Gox1177 from Gluconobacter oxidans.