N-acetyldiaminobutyric acid
PubChem CID: 22364241
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-acetyldiaminobutyric acid, SCHEMBL5596651 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 92.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids, Dipeptides |
| Deep Smiles | CCCC=O)O))NC=O)C)))N |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-acetamido-2-aminobutanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12N2O3 |
| Inchi Key | IXNUDGNYEQZABZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | n-acetyldiaminobutyric acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)NC(C)(N)C(=O)O |
| Compound Name | N-acetyldiaminobutyric acid |
| Exact Mass | 160.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.085 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 160.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12N2O3/c1-3-6(7,5(10)11)8-4(2)9/h3,7H2,1-2H3,(H,8,9)(H,10,11) |
| Smiles | CCC(C(=O)O)(N)NC(=O)C |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Pulcherrima (Plant) Rel Props:Reference:ISBN:9788185042053