tert-butyl 3-amino-4-(morpholin-4-yl)pyrrolidine-1-carboxylate

• ChemBase ID: 282514
• Molecular Formular: C13H25N3O3
• Molecular Mass: 271.3559
• Monoisotopic Mass: 271.18959168
• SMILES: N1(C(=O)OC(C)(C)C)CC(C(C1)N)N1CCOCC1
• Canonical SMILES: NC1CN(CC1N1CCOCC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H25N3O3/c1-13(2,3)19-12(17)16-8-10(14)11(9-16)15-4-6-18-7-5-15/h10-11H,4-9,14H2,1-3H3
• InChIKey: GZBVXZUGSZCUMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-amino-4-(morpholin-4-yl)pyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-amino-4-(morpholin-4-yl)pyrrolidine-1-carboxylate
• Synonyms: tert-butyl 3-amino-4-morpholin-4-ylpyrrolidine-1-carboxylate

Database IDs

• MDL Number: MFCD18089632
• PubChem SID: 180668045
• PubChem CID: 50986408

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.738277
• LogD (pH = 7.4): -1.1746294
• Log P: 0.041484047
• Molar Refractivity: 72.1033 cm^3
• Polarizability: 28.885592 Å^3
• Polar Surface Area: 68.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.361

Product Information

• Purity: 95%