[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

C20H24ClNO4 — CID 134819841

IUPAC[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCN(C)[C@@H]1COC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H23NO4.ClH/c1-21(2)17-13-24-14-18(17)25-19(22)20(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17-18,23H,13-14H2,1-2H3;1H/t17-,18-;/m1./s1
InChIKeyLBPGNFXVIMYLOX-JAXOOIEVSA-N
MW377.87 g/mol
LogP2.22
Rot. Bonds5

About [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride (PubChem CID 134819841) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
PubChem CID134819841
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCN(C)[C@@H]1COC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H23NO4.ClH/c1-21(2)17-13-24-14-18(17)25-19(22)20(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17-18,23H,13-14H2,1-2H3;1H/t17-,18-;/m1./s1
InChIKeyLBPGNFXVIMYLOX-JAXOOIEVSA-N
XLogP2.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(dimethylamino)cyclohexyl] 2-hydroxy-2,2-diphenylacetate
CID 70907246
(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride
CID 517443
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-hydroxy-2-(3-hydroxyphenyl)-2-phenylacetate
CID 122488304
4-[(2,2-difluoro-2-phenylethyl)-methylamino]oxolane-3-carboxylic acid
CID 116789972
1-azoniabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate;bromide;hydrobromide
CID 142678879
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetate
CID 70450503
1-azabicyclo[2.2.2]octan-3-yl 2-(4-aminophenyl)-2-hydroxy-2-phenylacetate
CID 13282599
1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate
CID 12789209
[(2S,4R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-diphenylacetate
CID 11378093
[(4R,5S)-9,9-dimethyl-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-diphenylacetate
CID 59113550
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
CID 76965754
[(2S,3S)-2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 92573683

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride (CID 134819841) is [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride is CN(C)[C@@H]1COC[C@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is LBPGNFXVIMYLOX-JAXOOIEVSA-N. The full InChI is InChI=1S/C20H23NO4.ClH/c1-21(2)17-13-24-14-18(17)25-19(22)20(23,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17-18,23H,13-14H2,1-2H3;1H/t17-,18-;/m1./s1.
What are the key properties of [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride?
[(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(dimethylamino)oxolan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 134819841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).