Desaminocanavanine
PubChem CID: 129650907
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| Compound Synonyms | desaminocanavanine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 84.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)CCCO/N=CN)/C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(Z)-1-aminoethylideneamino]oxybutanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12N2O3 |
| Inchi Key | HJFSYFRUEGETHG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | desaminocanavanine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CO/N=C(/C)N |
| Compound Name | Desaminocanavanine |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12N2O3/c1-5(7)8-11-4-2-3-6(9)10/h2-4H2,1H3,(H2,7,8)(H,9,10) |
| Smiles | C/C(=N/OCCCC(=O)O)/N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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