(2R)-2-aminohexanoic acid

• ChemBase ID: 102660
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: CCCC[C@@H](N)C(=O)O
• Canonical SMILES: CCCC[C@H](C(=O)O)N
• InChI: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
• InChIKey: LRQKBLKVPFOOQJ-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-aminohexanoic acid
• IUPAC Traditional name: D-(-)-norleucine
• Synonyms: (R)-(-)-2-Aminohexanoic acid; H-D-Nle-OH; D-(-)-Norleucine; D-2-Aminohexanoic acid; D-2-Aminocaproic acid; D-NORLEUCINE; (R)-2-Aminocaproic acid; (R)-2-Aminohexanoic acid; D-Norleucine; D(-)-正亮氨酸

Database IDs

• CAS Number: 327-56-0
• EC Number: 206-320-9
• MDL Number: MFCD00008099
• Beilstein Number: 1721749
• Merck Index: 146706
• PubChem SID: 162090279; 24897785
• PubChem CID: 456468

CALCULATED PROPERTIES

• Acid pKa: 2.787851
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4290233
• LogD (pH = 7.4): -1.431352
• Log P: -1.4286288
• Molar Refractivity: 34.2233 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C
• Optical Rotation: -23 (c=5 in 5N HCl)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; 99%
• Empirical Formula (Hill Notation): C6H13NO2

DETAILS

MP Biomedicals - 02102480

Crystalline
Purity: 99+%

Sigma Aldrich - N6627

Biochem/physiol Actions
Norleucine is a synthetic amino acid commonly used as an internal standard.