2-cyclopentylphenyl 2-aminoacetate

• ChemBase ID: 112310
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: NCC(=O)Oc1ccccc1C1CCCC1
• Canonical SMILES: NCC(=O)Oc1ccccc1C1CCCC1
• InChI: InChI=1S/C13H17NO2/c14-9-13(15)16-12-8-4-3-7-11(12)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2
• InChIKey: UIVHUHUKYQWXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylphenyl 2-aminoacetate
• IUPAC Traditional name: 2-cyclopentylphenyl 2-aminoacetate
• Synonyms: CYCLOPENTYLPHENYL GLYCINE

Database IDs

• PubChem SID: 162106652
• PubChem CID: 25021483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8945511
• LogD (pH = 7.4): 2.2009814
• Log P: 2.3267975
• Molar Refractivity: 62.140697 cm^3
• Polarizability: 24.68109 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223452

MP Biomedicals Rare Chemical collection