Common name
[(2R)-butan-2-yl] carbamate
IUPAC name
[(2R)-butan-2-yl] carbamate
SMILES
O(C(=O)N)[C@H](C)CC
Common name
[(2R)-butan-2-yl] carbamate
IUPAC name
[(2R)-butan-2-yl] carbamate
SMILES
O(C(=O)N)[C@H](C)CC
INCHI
InChI=1S/C5H11NO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3,(H2,6,7)/t4-/m1/s1
FORMULA
C5H11NO2
Common name
[(2R)-butan-2-yl] carbamate
IUPAC name
[(2R)-butan-2-yl] carbamate
Molecular weight
117.146
clogP
-0.222
clogS
-0.385
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_3_185.mol2 | 1yt7 | 1 | -6.89 | C[C@H](C(C)(C)C)OC(=O)N | 10 |
| 2aux_ligand_3_74.mol2 | 2aux | 1 | -6.57 | NC(=O)O[C@H](C)C(C)C | 9 |
| 1yt7_ligand_2_46.mol2 | 1yt7 | 0.95 | -6.63 | C(C(C)(C)C)OC(=O)N | 9 |
| 2aux_ligand_2_27.mol2 | 2aux | 0.95 | -6.27 | NC(=O)OCC(C)C | 8 |
| 4r1y_ligand_3_185.mol2 | 4r1y | 0.95 | -5.73 | C(OC(=O)N)CC | 7 |
| 2a4r_ligand_2_0.mol2 | 2a4r | 0.95 | -5.45 | C(OC(=O)N)C(C)C | 8 |
| 2a4g_ligand_2_0.mol2 | 2a4g | 0.95 | -5.42 | C(=O)(OCC(C)C)N | 8 |
| 2fs8_ligand_2_0.mol2 | 2fs8 | 0.95 | -5.36 | C(=O)(OCCC)N | 7 |
| 1w10_ligand_2_65.mol2 | 1w10 | 0.95 | -5.35 | C(C)(C)COC(=O)N | 8 |
113 ,
12
