N-[(1R,3R)-3-aminocyclopentyl]-3-(3-hydroxy-1,2-oxazol-5-yl)propanamide

• ChemBase ID: 565010
• Molecular Formular: C11H17N3O3
• Molecular Mass: 239.27098
• Monoisotopic Mass: 239.12699142
• SMILES: n1c(cc(o1)CCC(=O)N[C@H]1C[C@H](N)CC1)O
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)CCc1onc(c1)O
• InChI: InChI=1S/C11H17N3O3/c12-7-1-2-8(5-7)13-10(15)4-3-9-6-11(16)14-17-9/h6-8H,1-5,12H2,(H,13,15)(H,14,16)/t7-,8-/m1/s1
• InChIKey: OSKNFNLSMHMTEN-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-3-(3-hydroxy-1,2-oxazol-5-yl)propanamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-3-(3-hydroxy-1,2-oxazol-5-yl)propanamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-3-(3-hydroxyisoxazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 5.9694676
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.6116253
• LogD (pH = 7.4): -1.037938
• Log P: -1.0292077
• Molar Refractivity: 62.15 cm^3
• Polarizability: 23.723902 Å^3
• Polar Surface Area: 101.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.14
• LOG S: -1.28
• Polar Surface Area: 101.38 Å^2
• Rotatable Bonds: 4