CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | 350 mg/mL |
| Collision Cross Section | 118.65 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1063.3 |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.13 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 118.062994177 g/mol |
| Monoisotopic Mass | 118.062994177 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 87.7 |
| 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2-hydroxy-3-methylbutyric acid is a valine derivative that is valine in which the amino group has been replaced by a hydroxy group. It has a role as a human metabolite. It is functionally related to an isovaleric acid. It is a conjugate acid of a 2-hydroxy-3-methylbutyrate.