tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate

C17H37NO5Si2 — CID 173130040

IUPACtert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate
SMILESC[SiH2]OC(O[SiH2]C)C(C)(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@]1(C)CO
InChIInChI=1S/C17H37NO5Si2/c1-15(2,3)21-14(20)18-10-9-12(17(18,6)11-19)16(4,5)13(22-24-7)23-25-8/h12-13,19H,9-11,24-25H2,1-8H3/t12-,17+/m0/s1
InChIKeyGNNAXXMWTFRTQY-YVEFUNNKSA-N
MW391.66 g/mol
LogP1.64
Rot. Bonds7

About tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 173130040) has the molecular formula C17H37NO5Si2 and a molecular weight of 391.66 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate
PubChem CID173130040
Molecular FormulaC17H37NO5Si2
Molecular Weight391.66 g/mol
Exact Mass391.22
IUPAC Nametert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate
SMILESC[SiH2]OC(O[SiH2]C)C(C)(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@]1(C)CO
InChIInChI=1S/C17H37NO5Si2/c1-15(2,3)21-14(20)18-10-9-12(17(18,6)11-19)16(4,5)13(22-24-7)23-25-8/h12-13,19H,9-11,24-25H2,1-8H3/t12-,17+/m0/s1
InChIKeyGNNAXXMWTFRTQY-YVEFUNNKSA-N
XLogP1.64
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(hydroxymethyl)-1-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 178200336
tert-butyl 4,4-difluoro-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 118992770
tert-butyl (3R,4R)-3-(hydroxymethyl)-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 124634045
tert-butyl 4-hydroxy-3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate
CID 118798712
tert-butyl 6-fluoro-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 146464347
tert-butyl (1R,5S)-6-fluoro-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175936343
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
tert-butyl (3R)-3-fluoro-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 138112305
tert-butyl (4R)-3,3-difluoro-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CID 97290046
tert-butyl (5R)-5-(hydroxymethyl)-5-methyl-2H-pyrrole-1-carboxylate
CID 169101015
tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 84801667
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate (CID 173130040) is tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate is C[SiH2]OC(O[SiH2]C)C(C)(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@]1(C)CO.
What is the InChIKey of tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is GNNAXXMWTFRTQY-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H37NO5Si2/c1-15(2,3)21-14(20)18-10-9-12(17(18,6)11-19)16(4,5)13(22-24-7)23-25-8/h12-13,19H,9-11,24-25H2,1-8H3/t12-,17+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 391.66 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173130040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).