Ethyl 2-acetamido-2-(dimethylamino)acetate
PubChem CID: 14860697
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| Compound Synonyms | 133873-11-7, Ethyl 2-acetamido-2-(dimethylamino)acetate, Acetic acid, (acetylamino)(dimethylamino)-, ethyl ester (9CI), Ethyl acetamido(dimethylamino)acetate, SCHEMBL8837173 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-acetamido-2-(dimethylamino)acetate |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C8H16N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HCSTUIOHBKWESR-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -0.722 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.473 |
| Compound Name | Ethyl 2-acetamido-2-(dimethylamino)acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 188.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 188.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0109073999999998 |
| Inchi | InChI=1S/C8H16N2O3/c1-5-13-8(12)7(10(3)4)9-6(2)11/h7H,5H2,1-4H3,(H,9,11) |
| Smiles | CCOC(=O)C(NC(=O)C)N(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients