tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate

C15H29NO6Si — CID 46934909

IUPACtert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)[C@H]1C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H29NO6Si/c1-14(2,3)21-13(20)16-11(9(17)10(18)12(16)19)15(4,5)22-23(6,7)8/h9-11,17-18H,1-8H3/t9-,10+,11-/m0/s1
InChIKeyPQPDGAUUHDFDPI-AXFHLTTASA-N
MW347.48 g/mol
LogP1.48
Rot. Bonds3

About tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate

tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 46934909) has the molecular formula C15H29NO6Si and a molecular weight of 347.48 g/mol. Its IUPAC name is tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
PubChem CID46934909
Molecular FormulaC15H29NO6Si
Molecular Weight347.48 g/mol
Exact Mass347.18
IUPAC Nametert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)[C@H]1C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H29NO6Si/c1-14(2,3)21-13(20)16-11(9(17)10(18)12(16)19)15(4,5)22-23(6,7)8/h9-11,17-18H,1-8H3/t9-,10+,11-/m0/s1
InChIKeyPQPDGAUUHDFDPI-AXFHLTTASA-N
XLogP1.48
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 49788166
tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 10521466
ethyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 10958100
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 10980882
(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11153010
(4S)-3-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11303322
(4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11314803
(4S)-3-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11462948
tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 11777422
tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
CID 11794716
tert-butyl (2S,3S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 46915753
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 101476978

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate (CID 46934909) is tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)[C@H]1C(C)(C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is PQPDGAUUHDFDPI-AXFHLTTASA-N. The full InChI is InChI=1S/C15H29NO6Si/c1-14(2,3)21-13(20)16-11(9(17)10(18)12(16)19)15(4,5)22-23(6,7)8/h9-11,17-18H,1-8H3/t9-,10+,11-/m0/s1.
What are the key properties of tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 347.48 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 46934909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).