prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate

C23H39N3O6Si — CID 54155177

IUPACprop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OCC=C)C(=O)C1
InChIInChI=1S/C23H39N3O6Si/c1-8-12-30-21(28)25-11-10-24(20(27)17-25)15-18-14-19(32-33(6,7)23(3,4)5)16-26(18)22(29)31-13-9-2/h8-9,18-19H,1-2,10-17H2,3-7H3/t18-,19+/m0/s1
InChIKeyOKNUNJMYLIXIRS-RBUKOAKNSA-N
MW481.67 g/mol
LogP3.24
Rot. Bonds8

About prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate

prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate (PubChem CID 54155177) has the molecular formula C23H39N3O6Si and a molecular weight of 481.67 g/mol. Its IUPAC name is prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate
PubChem CID54155177
Molecular FormulaC23H39N3O6Si
Molecular Weight481.67 g/mol
Exact Mass481.26
IUPAC Nameprop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OCC=C)C(=O)C1
InChIInChI=1S/C23H39N3O6Si/c1-8-12-30-21(28)25-11-10-24(20(27)17-25)15-18-14-19(32-33(6,7)23(3,4)5)16-26(18)22(29)31-13-9-2/h8-9,18-19H,1-2,10-17H2,3-7H3/t18-,19+/m0/s1
InChIKeyOKNUNJMYLIXIRS-RBUKOAKNSA-N
XLogP3.24
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate 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 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 67752118
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 18652162
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrrolidine-1-carboxylate
CID 54122586
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 57199298
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-4-hydroxybut-2-en-2-yl]pyrrolidine-1-carboxylate
CID 67809336
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 67752185
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[5,1-b][1,3]thiazol-3-ylmethyl)pyrrolidine-1-carboxylate
CID 20639566
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
CID 67752379
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-formyl-2-oxopiperazin-1-yl)-2-methylpyrrolidine-1-carboxylate
CID 57297064
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 68850565
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate (CID 54155177) is prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate is C=CCOC(=O)N1CCN(C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OCC=C)C(=O)C1.
What is the InChIKey of prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate?
The InChIKey is OKNUNJMYLIXIRS-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H39N3O6Si/c1-8-12-30-21(28)25-11-10-24(20(27)17-25)15-18-14-19(32-33(6,7)23(3,4)5)16-26(18)22(29)31-13-9-2/h8-9,18-19H,1-2,10-17H2,3-7H3/t18-,19+/m0/s1.
What are the key properties of prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate?
prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate has a molecular weight of 481.67 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methyl]-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 54155177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).