(3R)-1-(3-aminopropyl)pyrrolidin-3-ol

• ChemBase ID: 284278
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(C[C@@H](CC1)O)CCCN
• Canonical SMILES: NCCCN1CC[C@H](C1)O
• InChI: InChI=1S/C7H16N2O/c8-3-1-4-9-5-2-7(10)6-9/h7,10H,1-6,8H2/t7-/m1/s1
• InChIKey: NDZINGHRTXRLEX-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-1-(3-aminopropyl)pyrrolidin-3-ol
• IUPAC Traditional name: (3R)-1-(3-aminopropyl)pyrrolidin-3-ol
• Synonyms: (3R)-1-(3-aminopropyl)pyrrolidin-3-ol

Database IDs

• MDL Number: MFCD19214537
• PubChem SID: 180669809
• PubChem CID: 54595925

CALCULATED PROPERTIES

• Acid pKa: 14.847465
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.212121
• LogD (pH = 7.4): -5.057882
• Log P: -1.2887547
• Molar Refractivity: 41.6622 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.65

Product Information

• Purity: 95%