tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate

C18H34N2O4Si — CID 70276625

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CC#N
InChIInChI=1S/C18H34N2O4Si/c1-17(2,3)23-16(22)20-12-13(11-14(20)15(21)9-10-19)24-25(7,8)18(4,5)6/h13-15,21H,9,11-12H2,1-8H3/t13-,14+,15?/m1/s1
InChIKeyPWOFIUIXWIUECF-GNXJLENFSA-N
MW370.57 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 70276625) has the molecular formula C18H34N2O4Si and a molecular weight of 370.57 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID70276625
Molecular FormulaC18H34N2O4Si
Molecular Weight370.57 g/mol
Exact Mass370.23
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CC#N
InChIInChI=1S/C18H34N2O4Si/c1-17(2,3)23-16(22)20-12-13(11-14(20)15(21)9-10-19)24-25(7,8)18(4,5)6/h13-15,21H,9,11-12H2,1-8H3/t13-,14+,15?/m1/s1
InChIKeyPWOFIUIXWIUECF-GNXJLENFSA-N
XLogP3.66
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate
CID 67885392
tert-butyl (2S,4R)-2-[(1S)-3-amino-1-hydroxypropyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 10690844
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10862338
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10669664
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
(2R,3R)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 90091054
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
CID 10768778
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 85290251
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxy-3-nitropropyl]pyrrolidine-1-carboxylate
CID 10573304
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethylazetidin-3-yl)pyrrolidine-1-carboxylate
CID 18657890

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate (CID 70276625) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CC#N.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is PWOFIUIXWIUECF-GNXJLENFSA-N. The full InChI is InChI=1S/C18H34N2O4Si/c1-17(2,3)23-16(22)20-12-13(11-14(20)15(21)9-10-19)24-25(7,8)18(4,5)6/h13-15,21H,9,11-12H2,1-8H3/t13-,14+,15?/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 370.57 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70276625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).