tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate

C20H39NO4Si — CID 169084975

IUPACtert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](OCC2CC2)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-19(2,3)25-18(22)21-12-17(23-13-15-9-10-15)11-16(21)14-24-26(7,8)20(4,5)6/h15-17H,9-14H2,1-8H3/t16-,17+/m0/s1
InChIKeyYWAPVCOFWSRLPS-DLBZAZTESA-N
MW385.62 g/mol
LogP4.81
Rot. Bonds6

About tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate (PubChem CID 169084975) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
PubChem CID169084975
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Nametert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](OCC2CC2)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-19(2,3)25-18(22)21-12-17(23-13-15-9-10-15)11-16(21)14-24-26(7,8)20(4,5)6/h15-17H,9-14H2,1-8H3/t16-,17+/m0/s1
InChIKeyYWAPVCOFWSRLPS-DLBZAZTESA-N
XLogP4.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 54.81
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 (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 56595124
tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(ethylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 155904410
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
CID 68813626
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(Z)-3,3,3-trifluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 145444558
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 178182927
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
tert-butyl (2S,4S)-4-methoxy-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 158699329
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate
CID 140854447

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate (CID 169084975) is tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](OCC2CC2)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
The InChIKey is YWAPVCOFWSRLPS-DLBZAZTESA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-19(2,3)25-18(22)21-12-17(23-13-15-9-10-15)11-16(21)14-24-26(7,8)20(4,5)6/h15-17H,9-14H2,1-8H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate has a molecular weight of 385.62 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 169084975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).