52152-47-3
Product Name:
rac-(S*)-2-(Acetylamino)-3-methylbutanoic acid methyl ester
Formula:
C8H15NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1249.4 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 173.21 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 173.10519334 g/mol |
| Monoisotopic Mass | 173.10519334 g/mol |
| Topological Polar Surface Area | 55.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 177 |
| 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
Methyl N-acetylvalinate is a valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group. It has a role as a metabolite.