tert-butyl (2R)-2-amino-4-methylpentanoate hydrochloride

• ChemBase ID: 237888
• Molecular Formular: C10H22ClNO2
• Molecular Mass: 223.74018
• Monoisotopic Mass: 223.13390663
• SMILES: C(=O)(OC(C)(C)C)[C@@H](CC(C)C)N.Cl
• Canonical SMILES: CC(C[C@H](C(=O)OC(C)(C)C)N)C.Cl
• InChI: InChI=1S/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m1./s1
• InChIKey: RFUWRXIYTQGFGA-DDWIOCJRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2R)-2-amino-4-methylpentanoate hydrochloride
• IUPAC Traditional name: tert-butyl (2R)-2-amino-4-methylpentanoate hydrochloride
• Synonyms: tert-butyl (2R)-2-amino-4-methylpentanoate hydrochloride; H-D-Leu-OtBu HCl

Database IDs

• CAS Number: 13081-32-8
• MDL Number: MFCD00083642
• PubChem SID: 164293798
• PubChem CID: 44629930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.009986944
• LogD (pH = 7.4): 1.5796559
• Log P: 1.8752526
• Molar Refractivity: 52.7456 cm^3
• Polarizability: 21.43788 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.255

Product Information

• Purity: 95%; 95+%