tert-butyl (2S)-2-amino-4-methylpentanoate

• ChemBase ID: 104231
• Molecular Formular: C10H21NO2
• Molecular Mass: 187.27924
• Monoisotopic Mass: 187.15722892
• SMILES: CC(C)C[C@H](N)C(=O)OC(C)(C)C
• Canonical SMILES: CC(C[C@@H](C(=O)OC(C)(C)C)N)C
• InChI: InChI=1S/C10H21NO2/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m0/s1
• InChIKey: HBEJJYHFTZDAHZ-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2S)-2-amino-4-methylpentanoate
• IUPAC Traditional name: tert-butyl (2S)-2-amino-4-methylpentanoate
• Synonyms: L-LEUCINE t-BUTYL ESTER

Database IDs

• CAS Number: 2748-02-9
• PubChem SID: 162092455
• PubChem CID: 7022311

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

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02155191

Hydrochloride Crystalline