8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 536249
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)[C@H](Cc1ccccc1)N)CC2)Cc1ccccc1
• Canonical SMILES: O=C([C@H](Cc1ccccc1)N)N1CCC2(CC1)CC(=O)N(C2)Cc1ccccc1
• InChI: InChI=1S/C24H29N3O2/c25-21(15-19-7-3-1-4-8-19)23(29)26-13-11-24(12-14-26)16-22(28)27(18-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18,25H2/t21-/m0/s1
• InChIKey: WVXAOTKVFVTNQD-NRFANRHFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-L-phenylalanyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.50907123
• LogD (pH = 7.4): 1.184914
• Log P: 1.8824724
• Molar Refractivity: 113.9056 cm^3
• Polarizability: 44.510704 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.85
• LOG S: -4.49
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 5