methyl 2-(cyclopentylamino)acetate hydrochloride

• ChemBase ID: 288718
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: O=C(OC)CNC1CCCC1.Cl
• Canonical SMILES: COC(=O)CNC1CCCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-9-7-4-2-3-5-7;/h7,9H,2-6H2,1H3;1H
• InChIKey: MNXDQYYCGFEEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(cyclopentylamino)acetate hydrochloride
• IUPAC Traditional name: methyl 2-(cyclopentylamino)acetate hydrochloride
• Synonyms: Methyl 2-(cyclopentylamino)acetate hydrochloride

Database IDs

• CAS Number: 195877-46-4
• PubChem SID: 180674249
• PubChem CID: 53429413

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.54588664
• LogD (pH = 7.4): 0.68513507
• Log P: 0.78570074
• Molar Refractivity: 41.9603 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4

PROPERTIES

Product Information

• Purity: 95+%