tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate

• ChemBase ID: 310063
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: N1(C(=O)OC(C)(C)C)CC(C1)CCO
• Canonical SMILES: OCCC1CN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-8(7-11)4-5-12/h8,12H,4-7H2,1-3H3
• InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
• Synonyms: tert-butyl 3-(2-hydroxyethyl)-1-azetidinecarboxylate

Database IDs

• CAS Number: 152537-03-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46596298
• LogD (pH = 7.4): 0.46596298
• Log P: 0.46596298
• Molar Refractivity: 53.531 cm^3
• Polarizability: 20.97339 Å^3
• Polar Surface Area: 49.77 Å^2