[(1S,2S)-2-aminocyclopentyl]methanol

• ChemBase ID: 796269
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C(O)[C@@H]1[C@H](CCC1)N
• Canonical SMILES: OC[C@H]1CCC[C@@H]1N
• InChI: InChI=1S/C6H13NO/c7-6-3-1-2-5(6)4-8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
• InChIKey: JFLVVCGMJYMWML-RITPCOANSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1S,2S)-2-aminocyclopentyl]methanol
• IUPAC Traditional name: [(1S,2S)-2-aminocyclopentyl]methanol
• Synonyms: ((1S,2S)-2-aminocyclopentyl)methanol

Database IDs

• CAS Number: 359586-62-2

CALCULATED PROPERTIES

• Acid pKa: 15.423369
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.323058
• LogD (pH = 7.4): -2.8529637
• Log P: -0.30090606
• Molar Refractivity: 32.6335 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%