CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
Solubility | 45 mg/mL at 20 °C |
Density | 0.932-0.936 |
LogP | 1.18 |
Refractive Index | 1.404-1.408 |
Kovats Retention Index | 839 842 838 866 890 890 818 818 815 869.5 818 830 819 861 818 846 813 842 829 896 |
COMPUTED DESCRIPTORS
Molecular Weight | 102.13 g/mol |
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XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 102.068079557 g/mol |
Monoisotopic Mass | 102.068079557 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 68.5 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-methylbutyric acid is a methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. It has a role as a bacterial metabolite and a human metabolite. It is a conjugate acid of a 2-methylbutyrate.