Common name
N-[(2S)-1-methoxypropan-2-yl]formamide
IUPAC name
N-[(2S)-1-methoxypropan-2-yl]formamide
SMILES
C(OC)[C@@H](NC=O)C
Common name
N-[(2S)-1-methoxypropan-2-yl]formamide
IUPAC name
N-[(2S)-1-methoxypropan-2-yl]formamide
SMILES
C(OC)[C@@H](NC=O)C
INCHI
InChI=1S/C5H11NO2/c1-5(3-8-2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
FORMULA
C5H11NO2
Common name
N-[(2S)-1-methoxypropan-2-yl]formamide
IUPAC name
N-[(2S)-1-methoxypropan-2-yl]formamide
Molecular weight
117.146
clogP
0.000
clogS
-0.796
Frequency
0.0014
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 |
|---|---|---|---|---|
| FDBD02360 | dimethenamid |
|
Herbicide | Herbicide |
| FDBD02361 | dimethenamid-P |
|
Herbicide | Herbicide |
| FDBD02416 | metolachlor |
|
Herbicide | Herbicide |
| FDBD02417 | S-metolachlor |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u5s_ligand_5_10869.mol2 | 4u5s | 1 | -5.14 | O(C[C@H](C)NC=O)C | 8 |
| 3ixk_ligand_4_2886.mol2 | 3ixk | 0.863636 | -5.33 | C(CNC=O)OC | 7 |
| 1ms6_ligand_4_195.mol2 | 1ms6 | 0.863636 | -5.28 | C(COC)NC=O | 7 |
| 4tpk_ligand_3_22.mol2 | 4tpk | 0.863636 | -5.12 | O(C)CCNC=O | 7 |
| 4xii_ligand_3_34.mol2 | 4xii | 0.863636 | -5.12 | C(COC)NC=O | 7 |
| 2bvs_ligand_4_1750.mol2 | 2bvs | 0.863636 | -5.04 | C(NC=O)COC | 7 |
| 1vj9_ligand_4_55.mol2 | 1vj9 | 0.863636 | -5.00 | C(CNC=O)OC | 7 |
| 4u5s_ligand_4_3579.mol2 | 4u5s | 0.863636 | -4.87 | O(CCNC=O)C | 7 |
| 1cnw_ligand_4_285.mol2 | 1cnw | 0.863636 | -4.86 | O(CCNC=O)C | 7 |
291 ,
30
