N-acetyl aminoethanol
PubChem CID: 19967814
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| Compound Synonyms | acetylaminoethanol, N-acetyl aminoethanol, SCHEMBL82871, KOWHWGGCIXBOKF-UHFFFAOYSA-N, AKOS006358849 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCNC=O)C)))O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(1-hydroxyethyl)acetamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9NO2 |
| Inchi Key | KOWHWGGCIXBOKF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | o-ac-2-aminoethanol |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)NC(C)O |
| Compound Name | N-acetyl aminoethanol |
| Exact Mass | 103.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 103.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 103.12 |
| 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/C4H9NO2/c1-3(6)5-4(2)7/h3,6H,1-2H3,(H,5,7) |
| Smiles | CC(NC(=O)C)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729