2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate

C22H24NO8PS — CID 54327489

IUPAC2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CC(OS(C)(=O)=O)CC1C(=O)OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO8PS/c1-3-14-29-22(25)23-16-17(31-33(2,27)28)15-20(23)21(24)30-32(26,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h3-13,17,20H,1,14-16H2,2H3
InChIKeySVZOKUIOGULXBK-UHFFFAOYSA-N
MW493.47 g/mol
LogP2.20
Rot. Bonds8

About 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate

2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate (PubChem CID 54327489) has the molecular formula C22H24NO8PS and a molecular weight of 493.47 g/mol. Its IUPAC name is 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate
PubChem CID54327489
Molecular FormulaC22H24NO8PS
Molecular Weight493.47 g/mol
Exact Mass493.10
IUPAC Name2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1CC(OS(C)(=O)=O)CC1C(=O)OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO8PS/c1-3-14-29-22(25)23-16-17(31-33(2,27)28)15-20(23)21(24)30-32(26,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h3-13,17,20H,1,14-16H2,2H3
InChIKeySVZOKUIOGULXBK-UHFFFAOYSA-N
XLogP2.20
TPSA116.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate 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

prop-2-enyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 18639172
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate
CID 14842658
1-O-[(4-methoxyphenyl)methyl] 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate
CID 10572279
1-O-benzyl 2-O-methyl (2S,5S)-5-methylsulfonyloxypiperidine-1,2-dicarboxylate
CID 11749045
prop-2-enyl (2R,4R)-2-[2-[2-(1,3-dioxoisoindol-2-yl)imidazol-1-yl]ethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 54080198
1-O-benzyl 2-O-methyl 4-ethenoxypyrrolidine-1,2-dicarboxylate
CID 123446649
prop-2-enyl (2S,4R)-2-[[2-(carbamoylamino)-2-oxoethoxy]methyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 57004862
bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 139678210
prop-2-enyl (2R,4R)-2-[2-(4-carbamoylimidazol-1-yl)ethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 54497513
1-O-benzyl 2-O-tert-butyl (2R,4S)-4-(trifluoromethylsulfonyloxy)pyrrolidine-1,2-dicarboxylate
CID 10456570
prop-2-enyl (2S,4R)-2-[2-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,3-thiazol-4-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 86756329
2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1,2-dicarboxylate
CID 170539644

Frequently Asked Questions

What is the IUPAC name of 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate (CID 54327489) is 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate is C=CCOC(=O)N1CC(OS(C)(=O)=O)CC1C(=O)OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate?
The InChIKey is SVZOKUIOGULXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO8PS/c1-3-14-29-22(25)23-16-17(31-33(2,27)28)15-20(23)21(24)30-32(26,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h3-13,17,20H,1,14-16H2,2H3.
What are the key properties of 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate?
2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate has a molecular weight of 493.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-diphenylphosphoryl 1-O-prop-2-enyl 4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 54327489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).