(2S)-2-amino-3-methylpentanoic acid

• ChemBase ID: 102544
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: CCC(C)[C@H](N)C(=O)O
• Canonical SMILES: CCC([C@@H](C(=O)O)N)C
• InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4?,5-/m0/s1
• InChIKey: AGPKZVBTJJNPAG-AKGZTFGVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-methylpentanoic acid
• IUPAC Traditional name: (2S)-2-amino-3-methylpentanoic acid
• Synonyms: 2-Amino-3-Methylpentanoic Acid; L-ISOLEUCINE; L-ISOLEUCINE, USP GRADE

Database IDs

• CAS Number: 73-32-5
• EC Number: 200-798-2
• PubChem SID: 162088675
• PubChem CID: 5351546

CALCULATED PROPERTIES

• Acid pKa: 2.7913082
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5088165
• LogD (pH = 7.4): -1.5107228
• Log P: -1.5084066
• Molar Refractivity: 34.0939 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 283-284°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: NR4705000

Product Information

• Purity: 99%
• Grade: USP

DETAILS

MP Biomedicals - 02102092

Purity: 99%
Crystalline

MP Biomedicals - 02194689

Cell Culture Reagent
Purity: 99%
Crystalline