ethyl 2-amino-2-(1-ethoxycyclopentyl)acetate

• ChemBase ID: 238225
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: C(C(=O)OCC)(C1(OCC)CCCC1)N
• Canonical SMILES: CCOC(=O)C(C1(CCCC1)OCC)N
• InChI: InChI=1S/C11H21NO3/c1-3-14-10(13)9(12)11(15-4-2)7-5-6-8-11/h9H,3-8,12H2,1-2H3
• InChIKey: ILSJPTXNHKTIDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2-(1-ethoxycyclopentyl)acetate
• IUPAC Traditional name: ethyl 2-amino-2-(1-ethoxycyclopentyl)acetate
• Synonyms: ethyl 2-amino-2-(1-ethoxycyclopentyl)acetate

Database IDs

• MDL Number: MFCD22375354
• PubChem SID: 164294135
• PubChem CID: 71756120

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20304295
• LogD (pH = 7.4): 1.0481248
• Log P: 1.1554857
• Molar Refractivity: 57.3613 cm^3
• Polarizability: 23.25672 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.532

Product Information

• Purity: 95%