Common name
(2R)-N-ethyl-2-hydroxypropanamide
IUPAC name
(2R)-N-ethyl-2-hydroxypropanamide
SMILES
CCNC(=O)[C@@H](C)O
Common name
(2R)-N-ethyl-2-hydroxypropanamide
IUPAC name
(2R)-N-ethyl-2-hydroxypropanamide
SMILES
CCNC(=O)[C@@H](C)O
INCHI
InChI=1S/C5H11NO2/c1-3-6-5(8)4(2)7/h4,7H,3H2,1-2H3,(H,6,8)/t4-/m1/s1
FORMULA
C5H11NO2
Common name
(2R)-N-ethyl-2-hydroxypropanamide
IUPAC name
(2R)-N-ethyl-2-hydroxypropanamide
Molecular weight
117.146
clogP
-0.303
clogS
-0.480
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02364 | etnipromid |
|
Herbicide | Herbicide |
| FDBD02373 | napropamide |
|
Herbicide | Herbicide |
| FDBD02374 | napropamide-M |
|
Herbicide | Herbicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bsk_ligand_5_221.mol2 | 1bsk | 1 | -6.16 | CCNC(=O)[C@H](C)O | 8 |
| 1nh0_ligand_4_2590.mol2 | 1nh0 | 1 | -5.96 | C(C)NC(=O)[C@H](O)C | 8 |
| 4qbb_ligand_4_91.mol2 | 4qbb | 1 | -5.80 | C[C@H](O)C(=O)NCC | 8 |
| 2nqi_ligand_4_560.mol2 | 2nqi | 1 | -5.78 | C(C)NC(=O)[C@H](O)C | 8 |
| 2bdl_ligand_3_77.mol2 | 2bdl | 1 | -5.64 | [C@@H](O)(C(=O)NCC)C | 8 |
| 2nqg_ligand_4_560.mol2 | 2nqg | 1 | -5.63 | C(C)NC(=O)[C@H](C)O | 8 |
| 1riw_ligand_4_220.mol2 | 1riw | 1 | -5.49 | CCNC(=O)[C@@H](C)O | 8 |
| 1tps_ligand_4_2565.mol2 | 1tps | 1 | -5.49 | [C@@H](O)(C)C(=O)NCC | 8 |
| 1a2c_ligand_4_21.mol2 | 1a2c | 1 | -5.37 | C[C@@H](O)C(=O)NCC | 8 |
172 ,
18
