ethyl 2-(3-{[(benzyloxy)carbonyl]amino}oxetan-3-yl)acetate

• ChemBase ID: 136384
• Molecular Formular: C15H19NO5
• Molecular Mass: 293.31506
• Monoisotopic Mass: 293.12632271
• SMILES: CCOC(=O)CC1(COC1)NC(=O)OCc1ccccc1
• Canonical SMILES: CCOC(=O)CC1(COC1)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C15H19NO5/c1-2-20-13(17)8-15(10-19-11-15)16-14(18)21-9-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)
• InChIKey: SRTSPKRBWKDIOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-{[(benzyloxy)carbonyl]amino}oxetan-3-yl)acetate
• IUPAC Traditional name: ethyl 2-(3-{[(benzyloxy)carbonyl]amino}oxetan-3-yl)acetate
• Synonyms: Ethyl (3-{[(benzyloxy)carbonyl]amino}-3-oxetanyl)acetate

Database IDs

• MDL Number: MFCD14586428
• PubChem SID: 162230654
• PubChem CID: 71309770

CALCULATED PROPERTIES

• Acid pKa: 13.42547
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5198854
• LogD (pH = 7.4): 1.5198851
• Log P: 1.5198854
• Molar Refractivity: 74.5348 cm^3
• Polarizability: 29.582232 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C15H19NO5

DETAILS

Sigma Aldrich - L500321

Other Notes
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