Responsive image

Common name

(1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid

IUPAC name

(1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid

SMILES

[C@H](C)(NC=O)C=O

Common name

(1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid

IUPAC name

(1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid

SMILES

[C@H](C)(NC=O)C=O

INCHI

InChI=1S/C4H7NO2/c1-4(2-6)5-3-7/h2-4H,1H3,(H,5,7)/t4-/m1/s1

FORMULA

C4H7NO2

Responsive image

Common name

(1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid

IUPAC name

(1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid





Molecular weight

101.104

clogP

0.275

clogS

0.295

Frequency

0.0003





HBond Acceptor

3

HBond Donor

1

Total Polar
Surface Area

49.66

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02958 zoxamide Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3avz_ligand_2_102.mol2 3avz 1 -5.48 [C@H](C=O)(/N=C\O)C 7
4q2k_ligand_2_3.mol2 4q2k 1 -5.39 C(=N\[C@H](C=O)C)\O 7
3avz_ligand_1_12.mol2 3avz 0.882353 -5.03 C(C=O)/N=C\O 6
4q2k_ligand_1_1.mol2 4q2k 0.882353 -4.98 C(=N\CC=O)\O 6
4ps0_ligand_2_102.mol2 4ps0 0.8 -5.42 C(/N=C\O)C(=O)C 7
3el5_ligand_1_2.mol2 3el5 0.647059 -6.36 C(=N\C(C)(C)C)\O 7
1k6v_ligand_1_2.mol2 1k6v 0.647059 -6.29 C(=N\C(C)(C)C)\O 7
3hd3_ligand_3_109.mol2 3hd3 0.647059 -5.61 CC(/N=C\O)C 6
1d6s_ligand_2_0.mol2 1d6s 0.590909 -6.25 C[C@H](N=C)C(=O)O 7
100 , 11