tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate

C21H37N3O5Si — CID 10646738

IUPACtert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
SMILESCc1cn([C@@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N3O5Si/c1-14-12-23(18(26)22-17(14)25)16-11-10-15(13-28-30(8,9)21(5,6)7)24(16)19(27)29-20(2,3)4/h12,15-16H,10-11,13H2,1-9H3,(H,22,25,26)/t15-,16+/m1/s1
InChIKeyUYNNYKSJWRHMHK-CVEARBPZSA-N
MW439.63 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 10646738) has the molecular formula C21H37N3O5Si and a molecular weight of 439.63 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID10646738
Molecular FormulaC21H37N3O5Si
Molecular Weight439.63 g/mol
Exact Mass439.25
IUPAC Nametert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
SMILESCc1cn([C@@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N3O5Si/c1-14-12-23(18(26)22-17(14)25)16-11-10-15(13-28-30(8,9)21(5,6)7)24(16)19(27)29-20(2,3)4/h12,15-16H,10-11,13H2,1-9H3,(H,22,25,26)/t15-,16+/m1/s1
InChIKeyUYNNYKSJWRHMHK-CVEARBPZSA-N
XLogP3.76
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
1-[(2R,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22853714
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
CID 132515167
1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 163787834
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15332182
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate
CID 122400427
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-methylphenyl)aziridine-1-carboxylate
CID 58488231
1-[(2S,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethynyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16719922
1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(fluoromethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 177390760
1-[(2R,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-[(2-sulfanylidene-1,3,2λ5-dithiaphospholan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 150460330
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate (CID 10646738) is tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate is Cc1cn([C@@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is UYNNYKSJWRHMHK-CVEARBPZSA-N. The full InChI is InChI=1S/C21H37N3O5Si/c1-14-12-23(18(26)22-17(14)25)16-11-10-15(13-28-30(8,9)21(5,6)7)24(16)19(27)29-20(2,3)4/h12,15-16H,10-11,13H2,1-9H3,(H,22,25,26)/t15-,16+/m1/s1.
What are the key properties of tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 439.63 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10646738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).