tert-butyl 2-[(2-methoxyethyl)amino]acetate

• ChemBase ID: 270722
• Molecular Formular: C9H19NO3
• Molecular Mass: 189.25206
• Monoisotopic Mass: 189.13649347
• SMILES: C(=O)(OC(C)(C)C)CNCCOC
• Canonical SMILES: COCCNCC(=O)OC(C)(C)C
• InChI: InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7-10-5-6-12-4/h10H,5-7H2,1-4H3
• InChIKey: WZZARLZSGLWDMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-[(2-methoxyethyl)amino]acetate
• IUPAC Traditional name: tert-butyl 2-[(2-methoxyethyl)amino]acetate
• Synonyms: tert-butyl 2-[(2-methoxyethyl)amino]acetate

Database IDs

• MDL Number: MFCD12148598
• PubChem SID: 164326632
• PubChem CID: 18925475

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.094680004
• LogD (pH = 7.4): 0.42498878
• Log P: 0.43798304
• Molar Refractivity: 50.3962 cm^3
• Polarizability: 20.305481 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.12

Product Information

• Purity: 95%