tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate

C17H33NO3Si — CID 174094957

IUPACtert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H33NO3Si/c1-13-10-14(12-20-22(8,9)17(5,6)7)18(11-13)15(19)21-16(2,3)4/h11,14H,10,12H2,1-9H3/t14-/m0/s1
InChIKeyCLFPGTNODOBIKH-AWEZNQCLSA-N
MW327.54 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate

tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 174094957) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID174094957
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H33NO3Si/c1-13-10-14(12-20-22(8,9)17(5,6)7)18(11-13)15(19)21-16(2,3)4/h11,14H,10,12H2,1-9H3/t14-/m0/s1
InChIKeyCLFPGTNODOBIKH-AWEZNQCLSA-N
XLogP4.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate (CID 174094957) is tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate is CC1=CN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is CLFPGTNODOBIKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-13-10-14(12-20-22(8,9)17(5,6)7)18(11-13)15(19)21-16(2,3)4/h11,14H,10,12H2,1-9H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 327.54 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 174094957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).