1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate

C22H41NO7Si — CID 177365216

IUPAC1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC2OCCO2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO7Si/c1-21(2,3)29-20(25)23-15(10-11-18-27-12-13-28-18)17(14-16(23)19(24)26-7)30-31(8,9)22(4,5)6/h15-18H,10-14H2,1-9H3/t15-,16-,17-/m0/s1
InChIKeyGGLIADLTAZIBGT-ULQDDVLXSA-N
MW459.66 g/mol
LogP4.08
Rot. Bonds6

About 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate (PubChem CID 177365216) has the molecular formula C22H41NO7Si and a molecular weight of 459.66 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate
PubChem CID177365216
Molecular FormulaC22H41NO7Si
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC2OCCO2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO7Si/c1-21(2,3)29-20(25)23-15(10-11-18-27-12-13-28-18)17(14-16(23)19(24)26-7)30-31(8,9)22(4,5)6/h15-18H,10-14H2,1-9H3/t15-,16-,17-/m0/s1
InChIKeyGGLIADLTAZIBGT-ULQDDVLXSA-N
XLogP4.08
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
CID 176753455
1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate
CID 172520808
1-O-tert-butyl 2-O-methyl (2S,4R,5R)-4-acetyloxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 91459128
tert-butyl (2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(cyanomethyl)pyrrolidine-1-carboxylate
CID 134958998
1-O-tert-butyl 2-O-methyl (2S,4S,5R)-4,5-dimethylpyrrolidine-1,2-dicarboxylate
CID 71244415
1-O-tert-butyl 2-O,5-O-bis[tert-butyl(dimethyl)silyl] (2S,3S,5R)-3-hydroxypyrrolidine-1,2,5-tricarboxylate
CID 123283969
1-O-tert-butyl 2-O-methyl 4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
CID 134257440
1-O-tert-butyl 2-O,4-O-dimethyl (2S)-5-hydroxypyrrolidine-1,2,4-tricarboxylate
CID 11162473
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl (2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 168948559
3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 70948298

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate (CID 177365216) is 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC2OCCO2)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate?
The InChIKey is GGLIADLTAZIBGT-ULQDDVLXSA-N. The full InChI is InChI=1S/C22H41NO7Si/c1-21(2,3)29-20(25)23-15(10-11-18-27-12-13-28-18)17(14-16(23)19(24)26-7)30-31(8,9)22(4,5)6/h15-18H,10-14H2,1-9H3/t15-,16-,17-/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate has a molecular weight of 459.66 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(1,3-dioxolan-2-yl)ethyl]pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 177365216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).