CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 124.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 117.15 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 117.078978594 g/mol |
| Monoisotopic Mass | 117.078978594 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 72.8 |
| 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
Methyl 4-aminobutanoate is a methyl ester resulting from the formal condensation of gamma-aminobutyric acid with methanol. It is a primary amino compound, an amino acid ester and a methyl ester. It is functionally related to a gamma-aminobutyric acid.