Responsive image

Common name

N-[(1S,2S)-2-hydroxy-1-methyl-propyl]acetamide

IUPAC name

N-[(1S,2S)-2-hydroxy-1-methyl-propyl]acetamide

SMILES

CC(O)C(C)NC(=O)C

Common name

N-[(1S,2S)-2-hydroxy-1-methyl-propyl]acetamide

IUPAC name

N-[(1S,2S)-2-hydroxy-1-methyl-propyl]acetamide

SMILES

CC(O)C(C)NC(=O)C

INCHI

InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1

FORMULA

C6H13NO2

Responsive image

Common name

N-[(1S,2S)-2-hydroxy-1-methyl-propyl]acetamide

IUPAC name

N-[(1S,2S)-2-hydroxy-1-methyl-propyl]acetamide





Molecular weight

131.173

clogP

-0.084

clogS

-0.528

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

49.33

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00923 Atazanavir Responsive image Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3duy_ligand_5_7071.mol2 3duy 1 -6.54 [C@@H](NC(=O)C)([C@H](C)O)C 9
2g94_ligand_5_6786.mol2 2g94 1 -6.48 C[C@H](O)[C@H](C)NC(=O)C 9
1w6h_ligand_5_5574.mol2 1w6h 1 -6.46 C[C@@H]([C@H](C)O)NC(=O)C 9
3ivi_ligand_4_56.mol2 3ivi 1 -6.40 C[C@@H](O)[C@H](C)NC(=O)C 9
4dus_ligand_4_65.mol2 4dus 1 -6.39 [C@H](O)([C@@H](NC(=O)C)C)C 9
1eed_ligand_5_5382.mol2 1eed 1 -6.37 [C@H](NC(=O)C)(C)[C@H](C)O 9
4qgi_ligand_5_470.mol2 4qgi 1 -6.36 CC(=O)N[C@H]([C@H](O)C)C 9
203 , 21