tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate

C18H37NO5Si — CID 173291233

IUPACtert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC[SiH](C)O[C@]1([C@@H](O)CCO)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO5Si/c1-16(2,3)13-11-18(24-25(7)8,14(21)9-10-20)19(12-13)15(22)23-17(4,5)6/h13-14,20-21,25H,9-12H2,1-8H3/t13-,14-,18-/m0/s1
InChIKeyOXXWGISEZLTAQP-DEYYWGMASA-N
MW375.58 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 173291233) has the molecular formula C18H37NO5Si and a molecular weight of 375.58 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID173291233
Molecular FormulaC18H37NO5Si
Molecular Weight375.58 g/mol
Exact Mass375.24
IUPAC Nametert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC[SiH](C)O[C@]1([C@@H](O)CCO)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO5Si/c1-16(2,3)13-11-18(24-25(7)8,14(21)9-10-20)19(12-13)15(22)23-17(4,5)6/h13-14,20-21,25H,9-12H2,1-8H3/t13-,14-,18-/m0/s1
InChIKeyOXXWGISEZLTAQP-DEYYWGMASA-N
XLogP2.73
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-2-[2-(butoxycarbonylamino)-1-hydroxyethyl]-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291267
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
tert-butyl (2S,4S)-4-tert-butyl-2-dimethylsilyloxy-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trityloxybutan-2-yl]pyrrolidine-1-carboxylate
CID 173291262
CID 173291484
CID 173291484
tert-butyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-trityloxybutan-2-yl]pyrrolidine-1-carboxylate
CID 173291258
tert-butyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 173279486
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
CID 173348292
tert-butyl 4-(5-hydroxypentyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139389237
tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173250381
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348366

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate (CID 173291233) is tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate is C[SiH](C)O[C@]1([C@@H](O)CCO)C[C@H](C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is OXXWGISEZLTAQP-DEYYWGMASA-N. The full InChI is InChI=1S/C18H37NO5Si/c1-16(2,3)13-11-18(24-25(7)8,14(21)9-10-20)19(12-13)15(22)23-17(4,5)6/h13-14,20-21,25H,9-12H2,1-8H3/t13-,14-,18-/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 375.58 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 173291233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).