tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

C21H40N2O4Si — CID 145444317

IUPACtert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C21H40N2O4Si/c1-20(2,3)26-19(25)23-15-16(27-28(7,8)21(4,5)6)11-12-17(23)18(24)22-13-9-10-14-22/h16-17H,9-15H2,1-8H3/t16-,17-/m1/s1
InChIKeyVRGMBDXQISTTSR-IAGOWNOFSA-N
MW412.65 g/mol
LogP4.40
Rot. Bonds3

About tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 145444317) has the molecular formula C21H40N2O4Si and a molecular weight of 412.65 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID145444317
Molecular FormulaC21H40N2O4Si
Molecular Weight412.65 g/mol
Exact Mass412.28
IUPAC Nametert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C21H40N2O4Si/c1-20(2,3)26-19(25)23-15-16(27-28(7,8)21(4,5)6)11-12-17(23)18(24)22-13-9-10-14-22/h16-17H,9-15H2,1-8H3/t16-,17-/m1/s1
InChIKeyVRGMBDXQISTTSR-IAGOWNOFSA-N
XLogP4.40
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 ≤ 54.40
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 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 145444299
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
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 (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
ditert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 101367108
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-(3-ethoxy-3-oxoprop-1-en-2-yl)pyrrolidine-1-carboxylate
CID 67749947
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 170939046
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate (CID 145444317) is tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is VRGMBDXQISTTSR-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H40N2O4Si/c1-20(2,3)26-19(25)23-15-16(27-28(7,8)21(4,5)6)11-12-17(23)18(24)22-13-9-10-14-22/h16-17H,9-15H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 412.65 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 145444317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).