Responsive image

Common name

(2R)-2-hydroxy-2-methyl-butanoic acid

IUPAC name

(2R)-2-hydroxy-2-methyl-butanoic acid

SMILES

OC(C)(C(=O)O)CC

Common name

(2R)-2-hydroxy-2-methyl-butanoic acid

IUPAC name

(2R)-2-hydroxy-2-methyl-butanoic acid

SMILES

OC(C)(C(=O)O)CC

INCHI

InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m1/s1

FORMULA

C5H10O3

Responsive image

Common name

(2R)-2-hydroxy-2-methyl-butanoic acid

IUPAC name

(2R)-2-hydroxy-2-methyl-butanoic acid





Molecular weight

118.131

clogP

-0.286

clogS

0.145

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

57.53

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01621 Clinofibrate Responsive image ;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2i4j_ligand_2_0.mol2 2i4j 1 -6.44 [C@@](C(=O)O)(C)(CC)O 8
2i4z_ligand_2_0.mol2 2i4z 1 -6.39 [C@](C(=O)O)(C)(CC)O 8
2i4p_ligand_2_0.mol2 2i4p 1 -6.35 O[C@@](C(=O)O)(C)CC 8
3guz_ligand_1_0.mol2 3guz 1 -6.16 C(C)(C)[C@H](C(=O)O)O 8
4bt4_ligand.mol2 4bt4 0.875 -7.10 O[C@@H](C)[C@](C)(O)C(=O)O 10
4bt5_ligand.mol2 4bt5 0.875 -7.10 C(=O)([C@]([C@@H](C)O)(O)C)O 10
4bt3_ligand.mol2 4bt3 0.875 -7.07 C(=O)([C@@]([C@@H](C)O)(O)C)O 10
2uyn_ligand.mol2 2uyn 0.866667 -6.53 CCC(=O)C(=O)O 8
445 , 45