Common name
methyl (2R)-2-acetamidopropanoate
IUPAC name
methyl (2R)-2-acetamidopropanoate
SMILES
[C@@H](C)(C(=O)OC)NC(=O)C
Common name
methyl (2R)-2-acetamidopropanoate
IUPAC name
methyl (2R)-2-acetamidopropanoate
SMILES
[C@@H](C)(C(=O)OC)NC(=O)C
INCHI
InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m1/s1
FORMULA
C6H11NO3
Common name
methyl (2R)-2-acetamidopropanoate
IUPAC name
methyl (2R)-2-acetamidopropanoate
Molecular weight
145.156
clogP
-0.113
clogS
-0.757
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
55.4
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02919 | benalaxyl-M |
|
Fungicide | Fungicide |
| FDBD02922 | metalaxyl-M |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vcg_ligand_3_36.mol2 | 2vcg | 1 | -6.00 | [C@H](C(=O)OC)(NC(=O)C)C | 10 |
| 4l7u_ligand_3_10.mol2 | 4l7u | 1 | -5.80 | C[C@@H](C(=O)OC)NC(=O)C | 10 |
| 4dwk_ligand_3_6.mol2 | 4dwk | 1 | -5.51 | C[C@@H](C(=O)OC)NC(=O)C | 10 |
| 4gsc_ligand_3_3.mol2 | 4gsc | 1 | -5.49 | [C@@H](C(=O)OC)(C)NC(=O)C | 10 |
| 1v2p_ligand_3_1.mol2 | 1v2p | 1 | -5.46 | C[C@@H](C(=O)OC)NC(=O)C | 10 |
| 1v2r_ligand_3_1.mol2 | 1v2r | 1 | -5.39 | CC(=O)N[C@H](C(=O)OC)C | 10 |
| 1v2t_ligand_3_1.mol2 | 1v2t | 1 | -5.39 | CC(=O)N[C@@H](C)C(=O)OC | 10 |
| 4dtt_ligand_3_1.mol2 | 4dtt | 1 | -5.38 | O=C(OC)[C@H](C)NC(=O)C | 10 |
| 1v2q_ligand_3_1.mol2 | 1v2q | 1 | -5.36 | C[C@H](NC(=O)C)C(=O)OC | 10 |
100 ,
11
