(2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide hydrochloride

• ChemBase ID: 132172
• Molecular Formular: C12H18ClN3O3
• Molecular Mass: 287.74262
• Monoisotopic Mass: 287.10366913
• SMILES: CC(C)C[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])N.Cl
• Canonical SMILES: N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC(C)C.Cl
• InChI: InChI=1S/C12H17N3O3.ClH/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18;/h3-6,8,11H,7,13H2,1-2H3,(H,14,16);1H/t11-;/m0./s1
• InChIKey: PFOYXOWPGRWPLS-MERQFXBCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide hydrochloride
• Synonyms: L-Leucine p-nitroanilide hydrochloride; (S)-2-AMino-4-Methyl-N-(4-nitrophenyl)pentanaMide hydrochloride; L-亮氨酸-4-硝基苯胺 盐酸盐

Database IDs

• CAS Number: 16010-98-3
• MDL Number: MFCD00058248
• PubChem SID: 24896304; 162226449
• PubChem CID: 16219558

CALCULATED PROPERTIES

• Acid pKa: 12.397489
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.53288394
• LogD (pH = 7.4): 1.1263684
• Log P: 2.049685
• Molar Refractivity: 68.7687 cm^3
• Polarizability: 25.98061 Å^3
• Polar Surface Area: 98.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (TLC); 98%
• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - L2504

Substrates
用于比色法测定亮氨酸氨肽酶的底物。

Sigma Aldrich - L2158

Substrates
用于比色法测定亮氨酸氨肽酶的底物。