tert-butyl 4-(aminomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

• ChemBase ID: 275662
• Molecular Formular: C12H24N2O3
• Molecular Mass: 244.33056
• Monoisotopic Mass: 244.17869264
• SMILES: N1(C(=O)OC(C)(C)C)C(OC(C1CN)C)(C)C
• Canonical SMILES: NCC1C(C)OC(N1C(=O)OC(C)(C)C)(C)C
• InChI: InChI=1S/C12H24N2O3/c1-8-9(7-13)14(12(5,6)16-8)10(15)17-11(2,3)4/h8-9H,7,13H2,1-6H3
• InChIKey: PFHYJLHCIFWOCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(aminomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• IUPAC Traditional name: tert-butyl 4-(aminomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• Synonyms: tert-butyl 4-(aminomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

Database IDs

• MDL Number: MFCD19381937
• PubChem SID: 164331572
• PubChem CID: 54593801

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7885454
• LogD (pH = 7.4): -0.5428614
• Log P: 1.1388689
• Molar Refractivity: 65.4754 cm^3
• Polarizability: 26.240692 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.771

Product Information

• Purity: 95%