tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate

C18H37NO4Si — CID 19428082

IUPACtert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CCCO
InChIInChI=1S/C18H37NO4Si/c1-17(2,3)22-16(21)19-13-15(12-14(19)10-9-11-20)23-24(7,8)18(4,5)6/h14-15,20H,9-13H2,1-8H3
InChIKeyMAJCYCIRYQLGJM-UHFFFAOYSA-N
MW359.58 g/mol
LogP4.16
Rot. Bonds5

About tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate (PubChem CID 19428082) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
PubChem CID19428082
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CCCO
InChIInChI=1S/C18H37NO4Si/c1-17(2,3)22-16(21)19-13-15(12-14(19)10-9-11-20)23-24(7,8)18(4,5)6/h14-15,20H,9-13H2,1-8H3
InChIKeyMAJCYCIRYQLGJM-UHFFFAOYSA-N
XLogP4.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11078078
tert-butyl (2R,4S)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66962096
1,1-Dimethylethyl (2R,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
CID 10925602
(2R,3R)-3-(tert-Butyldimethylsilanyloxy)-2-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
CID 11012982
(2R,3S)-tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-hydroxypyrrolidine-1-carboxylate
CID 14462925
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 16731516
(2R,3S)-3-(tert-Butyl-dimethylsilanyloxy)-2-[(1S)-(2,2,2-trifluoro-1-hydroxyethyl)]pyrrolidine-1-carboxylic acid tert-butyl ester
CID 16731517
(2R,3R)-3-(tert-Butyl-dimethylsilanyloxy)-2-[(1R)-(2,2,2-trifluoro-1-hydroxyethyl)]pyrrolidine-1-carboxylic acid tert-butyl ester
CID 16732286
(2R,3S)-3-(tert-Butyl-dimethylsilanyloxy)-2-[(1R)-(2,2,2-trifluoro-1-hydroxyethyl)]pyrrolidine-1-carboxylic acid tert-butyl ester
CID 16732287
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]pyrrolidine-1-carboxylate
CID 53869723
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 73314305
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 91048246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate (CID 19428082) is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CCCO.
What is the InChIKey of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
The InChIKey is MAJCYCIRYQLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-17(2,3)22-16(21)19-13-15(12-14(19)10-9-11-20)23-24(7,8)18(4,5)6/h14-15,20H,9-13H2,1-8H3.
What are the key properties of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19428082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).