tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate

C21H40N2O4Si — CID 10645376

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCN1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C21H40N2O4Si/c1-20(2,3)26-19(25)23-14-16(27-28(8,9)21(4,5)6)13-17(23)15-10-11-22(7)18(24)12-15/h15-17H,10-14H2,1-9H3/t15?,16-,17+/m1/s1
InChIKeyWMSVLCXWTPPNOO-FGJGXXMFSA-N
MW412.65 g/mol
LogP4.25
Rot. Bonds3

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

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 10645376) has the molecular formula C21H40N2O4Si and a molecular weight of 412.65 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
PubChem CID10645376
Molecular FormulaC21H40N2O4Si
Molecular Weight412.65 g/mol
Exact Mass412.28
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCN1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C21H40N2O4Si/c1-20(2,3)26-19(25)23-14-16(27-28(8,9)21(4,5)6)13-17(23)15-10-11-22(7)18(24)12-15/h15-17H,10-14H2,1-9H3/t15?,16-,17+/m1/s1
InChIKeyWMSVLCXWTPPNOO-FGJGXXMFSA-N
XLogP4.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxopyrrolidine-1-carboxylate
CID 10576852
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-1-ethylpyrrolidin-3-yl]pyrrolidine-1-carboxylate
CID 10787067
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
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethylazetidin-3-yl)pyrrolidine-1-carboxylate
CID 18657890
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate
CID 139743879
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (1S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 53306128
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-nitroethenyl]pyrrolidine-1-carboxylate
CID 19918234
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 85290251
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
tert-butyl (4S)-4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate
CID 11802251

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate (CID 10645376) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate is CN1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is WMSVLCXWTPPNOO-FGJGXXMFSA-N. The full InChI is InChI=1S/C21H40N2O4Si/c1-20(2,3)26-19(25)23-14-16(27-28(8,9)21(4,5)6)13-17(23)15-10-11-22(7)18(24)12-15/h15-17H,10-14H2,1-9H3/t15?,16-,17+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 412.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10645376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).