Responsive image

Common name

[(3R)-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl] 2-hydroxyacetate

IUPAC name

[(3R)-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl] 2-hydroxyacetate

SMILES

O(C(=O)CO)C1C[N](CCC1)(C)C

Common name

[(3R)-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl] 2-hydroxyacetate

IUPAC name

[(3R)-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl] 2-hydroxyacetate

SMILES

O(C(=O)CO)C1C[N](CCC1)(C)C

INCHI

InChI=1S/C9H18NO3/c1-10(2)5-3-4-8(6-10)13-9(12)7-11/h8,11H,3-7H2,1-2H3/t8-/m1/s1

FORMULA

C9H18NO3

Responsive image

Common name

[(3R)-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl] 2-hydroxyacetate

IUPAC name

[(3R)-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-3-yl] 2-hydroxyacetate





Molecular weight

188.244

clogP

-2.233

clogS

-1.388

Frequency

0.0003





HBond Acceptor

3

HBond Donor

1

Total Polar
Surface Area

46.53

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01328 Mepenzolate Responsive image For use as adjunctive therapy in the treatment of peptic ulcer. It has not been
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1uz8_ligand_2_9.mol2 1uz8 0.652174 -6.07 C1[C@@H](CC[C@H](O1)CO)NC(=O)C 12
2liq_ligand_2_28.mol2 2liq 0.652174 -5.75 C(O)[C@@H]1CC[C@@H](NC(=O)C)CO1 12
4bae_ligand_1_2.mol2 4bae 0.618182 -5.72 C1C[NH2+]C[C@@H](C1)OC 8
5a82_ligand_2_7.mol2 5a82 0.618182 -5.46 CO[C@H]1CCC[NH2+]C1 8
5a83_ligand_2_12.mol2 5a83 0.618182 -5.46 CO[C@H]1CCC[NH2+]C1 8
5a81_ligand_2_7.mol2 5a81 0.618182 -5.42 O([C@H]1CCC[NH2+]C1)C 8
5a85_ligand_2_7.mol2 5a85 0.618182 -5.37 CO[C@H]1CCC[NH2+]C1 8
3d6q_ligand_2_2.mol2 3d6q 0.61194 -5.53 C([C@@H]1OC[C@@H]([C@H]1O)O)[NH+]1CCCCC1 14
103 , 11