HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-{[N-(2-Aminobutanoyl)glycyl]amino}butanoic acid
Butanoic acid, 2-[[[(2-amino-1-oxobutyl)amino]acetyl]amino]- (9CI)
![2-{[N-(2-Aminobutanoyl)glycyl]amino}butanoic acid molecular structure](/img/chemical/178693179.png)
Identifiers & Physical Properties
| CAS No. | 114183-55-0 |
|---|---|
| Molecular formula | C10H19N3O4 |
| Average molar mass | 245.28 g/mol |
| Monoisotopic mass | 245.1375561 g/mol |
| SMILES | CCC(N)C(=O)NCC(=O)NC(CC)C(=O)O |
| InChIKey | OXIZCPLUXLHLSD-UHFFFAOYSA-N |
| PubChem CID | 45122340 |
Chemical & Physical Properties
| XLogP | -2.9 |
|---|---|
| Topological polar surface area | 122 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 293 |