methyl (2S)-2-amino-2-cyclopentylacetate hydrochloride

• ChemBase ID: 796346
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: Cl.O(C(=O)[C@H](C1CCCC1)N)C
• Canonical SMILES: COC(=O)[C@H](C1CCCC1)N.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)6-4-2-3-5-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1
• InChIKey: OQEFEOSHQDCMLN-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2S)-2-amino-2-cyclopentylacetate hydrochloride
• IUPAC Traditional name: methyl (2S)-2-amino-2-cyclopentylacetate hydrochloride
• Synonyms: (S)-Methyl 2-aMino-2-cyclopentylacetate hydrochloride

Database IDs

• CAS Number: 14328-62-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.051267
• LogD (pH = 7.4): 0.5474004
• Log P: 0.8800894
• Molar Refractivity: 41.6618 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%