Common name
methyl (2R)-2-formamidopropanoate
IUPAC name
methyl (2R)-2-formamidopropanoate
SMILES
[C@@H](C)(C(=O)OC)NC=O
Common name
methyl (2R)-2-formamidopropanoate
IUPAC name
methyl (2R)-2-formamidopropanoate
SMILES
[C@@H](C)(C(=O)OC)NC=O
INCHI
InChI=1S/C5H9NO3/c1-4(6-3-7)5(8)9-2/h3-4H,1-2H3,(H,6,7)/t4-/m1/s1
FORMULA
C5H9NO3
Common name
methyl (2R)-2-formamidopropanoate
IUPAC name
methyl (2R)-2-formamidopropanoate
Molecular weight
131.130
clogP
-0.331
clogS
-0.357
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_2_9.mol2 | 2vcg | 1 | -5.59 | [C@H](C(=O)OC)(NC=O)C | 9 |
| 4nj3_ligand_2_7.mol2 | 4nj3 | 1 | -5.52 | [C@H](C(=O)OC)(NC=O)C | 9 |
| 4l7u_ligand_2_5.mol2 | 4l7u | 1 | -5.46 | C[C@@H](C(=O)OC)NC=O | 9 |
| 4dwk_ligand_2_7.mol2 | 4dwk | 1 | -5.31 | C[C@@H](C(=O)OC)NC=O | 9 |
| 4gsc_ligand_2_4.mol2 | 4gsc | 1 | -5.28 | [C@@H](C(=O)OC)(C)NC=O | 9 |
| 1v2r_ligand_2_0.mol2 | 1v2r | 1 | -5.27 | [C@H](C(=O)OC)(NC=O)C | 9 |
| 1v2t_ligand_2_0.mol2 | 1v2t | 1 | -5.27 | C[C@@H](C(=O)OC)NC=O | 9 |
| 4dtt_ligand_2_0.mol2 | 4dtt | 1 | -5.26 | O=C(OC)[C@H](C)NC=O | 9 |
| 1v2p_ligand_2_0.mol2 | 1v2p | 1 | -5.25 | C[C@@H](C(=O)OC)NC=O | 9 |
| 1v2q_ligand_2_0.mol2 | 1v2q | 1 | -5.25 | C[C@H](NC=O)C(=O)OC | 9 |
107 ,
11
