N-[(1R,3R)-3-aminocyclopentyl]-3-(2,3-dihydro-1H-indol-1-yl)propanamide

• ChemBase ID: 520489
• Molecular Formular: C16H23N3O
• Molecular Mass: 273.37332
• Monoisotopic Mass: 273.18411237
• SMILES: N1(c2c(CC1)cccc2)CCC(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)CCN1CCc2c1cccc2
• InChI: InChI=1S/C16H23N3O/c17-13-5-6-14(11-13)18-16(20)8-10-19-9-7-12-3-1-2-4-15(12)19/h1-4,13-14H,5-11,17H2,(H,18,20)/t13-,14-/m1/s1
• InChIKey: NUYADOBXIZZOIN-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-3-(2,3-dihydro-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-3-(2,3-dihydroindol-1-yl)propanamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-3-(2,3-dihydro-1H-indol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.021044
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9884918
• LogD (pH = 7.4): -1.4285661
• Log P: 1.0412152
• Molar Refractivity: 80.9957 cm^3
• Polarizability: 31.083414 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 0.71
• LOG S: -1.8
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4