COMPUTED DESCRIPTORS
| Molecular Weight | 146.14 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 146.06914219 g/mol |
| Monoisotopic Mass | 146.06914219 g/mol |
| Topological Polar Surface Area | 70 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-nitroso-N-methyl-4-aminobutyric acid is a nitrosamine that has methyl and 3-carboxypropyl substituents. It is a tobacco-derived nitrosamino acid that is a known animal and potential human carcinogen. It induces bladder transitional cell carcinomas in rats and has recently been identified as a contaminant in certain blood pressure medications. It has a role as a carcinogenic agent, a rat metabolite, a xenobiotic metabolite and a plant metabolite. It is a monocarboxylic acid and a nitrosamine.