tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate

C25H47NO7Si — CID 91599096

IUPACtert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate
SMILESCC(=O)OC[C@@H]1C[C@H](C(C)=O)N(C(=O)OC(C)(C)C)[C@@H]1C(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H47NO7Si/c1-15(2)34(16(3)4,17(5)6)32-14-22(29)23-20(13-31-19(8)28)12-21(18(7)27)26(23)24(30)33-25(9,10)11/h15-17,20-23,29H,12-14H2,1-11H3/t20-,21+,22?,23-/m0/s1
InChIKeyZHDWILZFIRNAPL-KORDQABASA-N
MW501.74 g/mol
LogP4.69
Rot. Bonds10

About tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate

tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate (PubChem CID 91599096) has the molecular formula C25H47NO7Si and a molecular weight of 501.74 g/mol. Its IUPAC name is tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate
PubChem CID91599096
Molecular FormulaC25H47NO7Si
Molecular Weight501.74 g/mol
Exact Mass501.31
IUPAC Nametert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate
SMILESCC(=O)OC[C@@H]1C[C@H](C(C)=O)N(C(=O)OC(C)(C)C)[C@@H]1C(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H47NO7Si/c1-15(2)34(16(3)4,17(5)6)32-14-22(29)23-20(13-31-19(8)28)12-21(18(7)27)26(23)24(30)33-25(9,10)11/h15-17,20-23,29H,12-14H2,1-11H3/t20-,21+,22?,23-/m0/s1
InChIKeyZHDWILZFIRNAPL-KORDQABASA-N
XLogP4.69
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.74
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-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

ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 11225292
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 11237354
tert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-2-carboxylate
CID 11245824
4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 18657897
3-[[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-4-ethoxy-4-oxobutanoic acid
CID 18657926
3-[[4-[Tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-4-ethoxy-4-oxobutanoic acid
CID 19918182
Ditert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 53644922
ditert-butyl (4R,5R)-4-(hydroxymethyl)-5-(oxiran-2-yl)pyrrolidine-1,2-dicarboxylate
CID 57019415
ditert-butyl (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 57216069
1-O-tert-butyl 2-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
CID 57773793
tert-butyl (2R,3R,5R)-5-acetyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
CID 60128271
tert-butyl (2R,3R,5R)-5-acetyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-hydroxy-3-methylbutyl)pyrrolidine-1-carboxylate
CID 60128302

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate (CID 91599096) is tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate is CC(=O)OC[C@@H]1C[C@H](C(C)=O)N(C(=O)OC(C)(C)C)[C@@H]1C(O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate?
The InChIKey is ZHDWILZFIRNAPL-KORDQABASA-N. The full InChI is InChI=1S/C25H47NO7Si/c1-15(2)34(16(3)4,17(5)6)32-14-22(29)23-20(13-31-19(8)28)12-21(18(7)27)26(23)24(30)33-25(9,10)11/h15-17,20-23,29H,12-14H2,1-11H3/t20-,21+,22?,23-/m0/s1.
What are the key properties of tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate has a molecular weight of 501.74 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R,5R)-5-acetyl-3-(acetyloxymethyl)-2-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91599096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).