ethyl 1-aminocyclopentane-1-carboxylate

• ChemBase ID: 263256
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(N)CCCC1)OCC
• Canonical SMILES: CCOC(=O)C1(N)CCCC1
• InChI: InChI=1S/C8H15NO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6,9H2,1H3
• InChIKey: NLLGKNYQDQBMFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-aminocyclopentane-1-carboxylate
• IUPAC Traditional name: ethyl 1-aminocyclopentane-1-carboxylate
• Synonyms: ethyl 1-aminocyclopentane-1-carboxylate; ethyl 1-aminocyclopentanecarboxylate

Database IDs

• CAS Number: 1664-35-3
• MDL Number: MFCD02663001
• PubChem SID: 164319166
• PubChem CID: 222862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.217551
• LogD (pH = 7.4): 0.45285395
• Log P: 0.9380755
• Molar Refractivity: 41.9741 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.153

Product Information

• Purity: 95%; 97%