methyl 2-(1-aminocyclobutyl)acetate

• ChemBase ID: 235425
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(C(=O)OC)C1(N)CCC1
• Canonical SMILES: COC(=O)CC1(N)CCC1
• InChI: InChI=1S/C7H13NO2/c1-10-6(9)5-7(8)3-2-4-7/h2-5,8H2,1H3
• InChIKey: KCFKMNXXKRIIQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(1-aminocyclobutyl)acetate
• IUPAC Traditional name: methyl 2-(1-aminocyclobutyl)acetate
• Synonyms: methyl 2-(1-aminocyclobutyl)acetate

Database IDs

• MDL Number: MFCD13249388
• PubChem SID: 164291335
• PubChem CID: 71755509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.927473
• LogD (pH = 7.4): -2.067083
• Log P: 0.06933315
• Molar Refractivity: 37.1737 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.504

Product Information

• Purity: 95%