(2R)-2-amino-4-methylpentanoic acid

• ChemBase ID: 1520
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: CC(C)C[C@@H](N)C(=O)O
• Canonical SMILES: N[C@@H](C(=O)O)CC(C)C
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
• InChIKey: ROHFNLRQFUQHCH-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-4-methylpentanoic acid
• IUPAC Traditional name: L-(+)-leucine
• Synonyms: (R)-2-Amino-4-methylpentanoic acid; D-Leucine; D-Leucine; H-D-Leu-OH; (R)-2-氨基-4-甲基戊酸; D-亮氨酸

Database IDs

• CAS Number: 328-38-1
• EC Number: 206-327-7
• MDL Number: MFCD00063088
• Beilstein Number: 1721721
• PubChem SID: 24888380; 24874859; 46507999; 160964977
• PubChem CID: 439524; 6106

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.787709
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.58655
• LogD (pH = 7.4): -1.5889318
• Log P: -1.5861572
• Molar Refractivity: 34.1709 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -1.82
• LOG S: -0.27
• Solubility (Water): 6.98e+01 g/l

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C
• Optical Rotation: [α]20/D -14.8±1°, c = 5% in 5 M HCl; [α]23/D -14.7°, c = 2 in 5 M HCl; -15 (c=5 in 5N HCl)

Safety Information

• RTECS: OH2840000
• German water hazard class: 3
• Safety Statements: 22-24/25
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); 97%; 98%; 99%
• Grade: puriss.; ReagentPlus®
• Optical Purity: ee: 97% (GLC)
• Linear Formula: (CH3)2CHCH2CH(NH2)CO2H

DETAILS

MP Biomedicals - 05202697

MP Biomedicals Rare Chemical collection

DrugBank - DB01746

• Drug Groups: experimental
• Description: An essential branched-chain amino acid important for hemoglobin formation. [PubChem]

Sigma Aldrich - 855448

Packaging
2.5, 10, 25 g in glass bottle
Legal Information
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