methyl 3-(cyclopentylamino)-2-methylpropanoate

• ChemBase ID: 814484
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(=O)(C(CNC1CCCC1)C)OC
• Canonical SMILES: COC(=O)C(CNC1CCCC1)C
• InChI: InChI=1S/C10H19NO2/c1-8(10(12)13-2)7-11-9-5-3-4-6-9/h8-9,11H,3-7H2,1-2H3
• InChIKey: FZHCDGGSBVUMLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(cyclopentylamino)-2-methylpropanoate
• IUPAC Traditional name: methyl 3-(cyclopentylamino)-2-methylpropanoate
• Synonyms: methyl 3-(cyclopentylamino)-2-methylpropanoate

Database IDs

• CAS Number: 793607-17-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6579193
• LogD (pH = 7.4): -1.0297743
• Log P: 1.5656998
• Molar Refractivity: 51.2342 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%