(2S,3S)-2-amino-3-methyl-N-[2-(morpholin-4-yl)(2H4)ethyl]pentanamide

• ChemBase编号: 160240
• 分子式: C12H25N3O2
• 平均质量: 243.3458
• 单一同位素质量: 243.19467706
• SMILES: C1COCCN1CCNC(=O)[C@H]([C@@H](C)CC)N
• Canonical SMILES: CC[C@@H]([C@@H](C(=O)NCCN1CCOCC1)N)C
• InChI: InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
• InChIKey: YNMUTYLWSRFTPX-QWRGUYRKSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S)-2-amino-3-methyl-N-[2-(morpholin-4-yl)(^2H₄)ethyl]pentanamide
• IUPAC传统名: (2S,3S)-2-amino-3-methyl-N-[2-(morpholin-4-yl)(^2H₄)ethyl]pentanamide
• 别名: [S-(R*,R*)]-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide-d4 Dihydrochloride; (2S,3S)-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide-d4 Hydrochloride

登记号

• PubChem SID: 162254375
• PubChem CID: 71313294

理论计算性质

• Acid pKa: 15.840164
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.4229684
• LogD (pH = 7.4): -1.1837445
• Log P: -0.029769905
• 摩尔折射率: 67.9064 cm^3
• 极化性: 27.059452 Å^3
• 极化表面积: 67.59 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A612502

Labelled (2S,3S)-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide is used for the preparation of labelled peptideamides for treatment of retroviral infection.