methyl 2-(cyclopentylamino)acetate

• ChemBase ID: 237452
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(CNC1CCCC1)OC
• Canonical SMILES: COC(=O)CNC1CCCC1
• InChI: InChI=1S/C8H15NO2/c1-11-8(10)6-9-7-4-2-3-5-7/h7,9H,2-6H2,1H3
• InChIKey: VZKNHSCVKNDVHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11140503
• PubChem SID: 164293362
• PubChem CID: 22080509

CALCULATED PROPERTIES

• 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
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.065

Product Information

• Purity: 95%