(3R)-3-(2-Amino-2-Oxoethyl)-5-Methylhexanoic Acid
[CAS# 185815-61-6]

Identification

• Name: (3R)-3-(2-Amino-2-Oxoethyl)-5-Methylhexanoic Acid
• Synonyms: (R)-(-)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid; (R)-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid; (R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid
• Molecular Formula: C₉H₁₇NO₃
• Molecular Weight: 187.24
• CAS Registry Number: 185815-61-6
• SMILES: CC(C)C[C@H](CC(N)=O)CC(O)=O
• InChI: 1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)/t7-/m1/s1
• InChIKey: NPDKTSLVWGFPQG-SSDOTTSWSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 401.929°C at 760 mmHg (Cal.)
• Flash point: 196.88°C (Cal.)
• Refractive index: 1.475 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Jae-Hoon Jung, Doo-Ha Yoon, Philjun Kang, Won Koo Lee, Heesung Eum and Hyun-Joon Ha. CAL-B catalyzed desymmetrization of 3-alkylglutarate: “olefin effect” and asymmetric synthesis of pregabalin, Org. Biomol. Chem., 2013, 11, 3635.