tert-butyl 1-aminocyclopentane-1-carboxylate

• ChemBase ID: 276545
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(=O)(C1(N)CCCC1)OC(C)(C)C
• Canonical SMILES: O=C(C1(N)CCCC1)OC(C)(C)C
• InChI: InChI=1S/C10H19NO2/c1-9(2,3)13-8(12)10(11)6-4-5-7-10/h4-7,11H2,1-3H3
• InChIKey: KTYIEPAXQWLADO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1-aminocyclopentane-1-carboxylate
• IUPAC Traditional name: tert-butyl 1-aminocyclopentane-1-carboxylate
• Synonyms: tert-butyl 1-aminocyclopentane-1-carboxylate

Database IDs

• MDL Number: MFCD12804798
• PubChem SID: 164332455
• PubChem CID: 14161653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.51982445
• LogD (pH = 7.4): 1.1504532
• Log P: 1.6352272
• Molar Refractivity: 51.0311 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.861

Product Information

• Purity: 95%