(3R,4S)-1-[3-(morpholin-4-yl)benzoyl]-4-propylpyrrolidin-3-amine

• ChemBase ID: 374310
• Molecular Formular: C18H27N3O2
• Molecular Mass: 317.42588
• Monoisotopic Mass: 317.21032712
• SMILES: N1(C(=O)c2cc(N3CCOCC3)ccc2)C[C@@H]([C@H](C1)N)CCC
• Canonical SMILES: CCC[C@H]1CN(C[C@@H]1N)C(=O)c1cccc(c1)N1CCOCC1
• InChI: InChI=1S/C18H27N3O2/c1-2-4-15-12-21(13-17(15)19)18(22)14-5-3-6-16(11-14)20-7-9-23-10-8-20/h3,5-6,11,15,17H,2,4,7-10,12-13,19H2,1H3/t15-,17-/m0/s1
• InChIKey: UOLTVZAILDQRQD-RDJZCZTQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-1-[3-(morpholin-4-yl)benzoyl]-4-propylpyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-1-[3-(morpholin-4-yl)benzoyl]-4-propylpyrrolidin-3-amine
• Synonyms: (3R*,4S*)-1-(3-morpholin-4-ylbenzoyl)-4-propylpyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2994732
• LogD (pH = 7.4): -0.30145428
• Log P: 1.6804606
• Molar Refractivity: 92.5677 cm^3
• Polarizability: 35.315994 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.45
• LOG S: -1.9
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 4