Common name
methyl N-[(2R)-3-methylbutan-2-yl]carbamate
IUPAC name
methyl N-[(2R)-3-methylbutan-2-yl]carbamate
SMILES
[C@H](NC(=O)OC)(C(C)C)C
Common name
methyl N-[(2R)-3-methylbutan-2-yl]carbamate
IUPAC name
methyl N-[(2R)-3-methylbutan-2-yl]carbamate
SMILES
[C@H](NC(=O)OC)(C(C)C)C
INCHI
InChI=1S/C7H15NO2/c1-5(2)6(3)8-7(9)10-4/h5-6H,1-4H3,(H,8,9)/t6-/m1/s1
FORMULA
C7H15NO2
Common name
methyl N-[(2R)-3-methylbutan-2-yl]carbamate
IUPAC name
methyl N-[(2R)-3-methylbutan-2-yl]carbamate
Molecular weight
145.200
clogP
0.469
clogS
-1.244
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03040 | tolprocarb |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wkz_ligand_2_77.mol2 | 2wkz | 0.961538 | -6.64 | C(NC(=O)OC)C(C)(C)C | 10 |
| 2cen_ligand_2_63.mol2 | 2cen | 0.961538 | -6.63 | C(C(C)(C)C)NC(=O)OC | 10 |
| 2uy0_ligand_2_39.mol2 | 2uy0 | 0.961538 | -6.63 | N(C(=O)OC)CC(C)(C)C | 10 |
| 2wl0_ligand_2_77.mol2 | 2wl0 | 0.961538 | -6.63 | C(C(C)(C)C)NC(=O)OC | 10 |
| 2cej_ligand_2_37.mol2 | 2cej | 0.961538 | -6.61 | O=C(NCC(C)(C)C)OC | 10 |
| 2cem_ligand_2_63.mol2 | 2cem | 0.961538 | -6.60 | C(C(C)(C)C)NC(=O)OC | 10 |
| 2uxz_ligand_2_69.mol2 | 2uxz | 0.961538 | -6.59 | C(C)(C)(C)CNC(=O)OC | 10 |
| 2xye_ligand_2_114.mol2 | 2xye | 0.961538 | -6.58 | N(C(=O)OC)CC(C)(C)C | 10 |
| 2xyf_ligand_2_117.mol2 | 2xyf | 0.961538 | -6.55 | O(C(=O)NCC(C)(C)C)C | 10 |
205 ,
21
