ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate

C23H45NO7Si — CID 90896148

IUPACditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H45NO7Si/c1-21(2,3)30-19(27)16-12-15(14-29-32(10,11)23(7,8)9)18(17(26)13-25)24(16)20(28)31-22(4,5)6/h15-18,25-26H,12-14H2,1-11H3/t15?,16?,17?,18-/m1/s1
InChIKeyXUYISRMMIMDPQU-VHYNJHTPSA-N
MW475.70 g/mol
LogP3.70
Rot. Bonds6

About ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate

ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 90896148) has the molecular formula C23H45NO7Si and a molecular weight of 475.70 g/mol. Its IUPAC name is ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID90896148
Molecular FormulaC23H45NO7Si
Molecular Weight475.70 g/mol
Exact Mass475.30
IUPAC Nameditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H45NO7Si/c1-21(2,3)30-19(27)16-12-15(14-29-32(10,11)23(7,8)9)18(17(26)13-25)24(16)20(28)31-22(4,5)6/h15-18,25-26H,12-14H2,1-11H3/t15?,16?,17?,18-/m1/s1
InChIKeyXUYISRMMIMDPQU-VHYNJHTPSA-N
XLogP3.70
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.70
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2s,4r)-1-N-(t-butoxycarbonyl)-4-(3-(t-butyldimethylsilyloxy)propyl)pyrrolidine-2-carboxylic
CID 132427119
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
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 11314858
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
CID 11339731
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

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate (CID 90896148) is ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)[C@H](C(O)CO)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is XUYISRMMIMDPQU-VHYNJHTPSA-N. The full InChI is InChI=1S/C23H45NO7Si/c1-21(2,3)30-19(27)16-12-15(14-29-32(10,11)23(7,8)9)18(17(26)13-25)24(16)20(28)31-22(4,5)6/h15-18,25-26H,12-14H2,1-11H3/t15?,16?,17?,18-/m1/s1.
What are the key properties of ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate?
ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 475.70 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 90896148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).