tert-butyl (2R)-2-aminobutanoate

• ChemBase ID: 239193
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: C(=O)(OC(C)(C)C)[C@H](N)CC
• Canonical SMILES: CC[C@H](C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
• InChIKey: UZHNWSLHLJLEAZ-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2R)-2-aminobutanoate
• IUPAC Traditional name: tert-butyl (2R)-2-aminobutanoate
• Synonyms: tert-butyl (2R)-2-aminobutanoate

Database IDs

• MDL Number: MFCD21107829
• PubChem SID: 164295103
• PubChem CID: 13283520

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.73600894
• LogD (pH = 7.4): 0.84026676
• Log P: 1.1436648
• Molar Refractivity: 43.596 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.327

Product Information

• Purity: 95%