tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate

C28H41NO4Si — CID 89456897

IUPACtert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO
InChIInChI=1S/C28H41NO4Si/c1-21(25-19-29(18-22(25)20-30)26(31)32-27(2,3)4)33-34(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25,30H,18-20H2,1-7H3/t21-,22-,25-/m0/s1
InChIKeyUYEUJZADNQJQGG-HWBMXIPRSA-N
MW483.73 g/mol
LogP4.43
Rot. Bonds6

About tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 89456897) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID89456897
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO
InChIInChI=1S/C28H41NO4Si/c1-21(25-19-29(18-22(25)20-30)26(31)32-27(2,3)4)33-34(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25,30H,18-20H2,1-7H3/t21-,22-,25-/m0/s1
InChIKeyUYEUJZADNQJQGG-HWBMXIPRSA-N
XLogP4.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 44556602
CID 44556602
CID 153639200
CID 153639200
CID 12111281
CID 12111281
CID 135067649
CID 135067649
CID 146169719
CID 146169719
CID 153639199
CID 153639199
CID 10742413
CID 10742413
CID 11144905
CID 11144905
CID 21096980
CID 21096980
CID 23511919
CID 23511919
CID 57974645
CID 57974645
CID 58006908
CID 58006908

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 89456897) is tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate is C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO.
What is the InChIKey of tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is UYEUJZADNQJQGG-HWBMXIPRSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-21(25-19-29(18-22(25)20-30)26(31)32-27(2,3)4)33-34(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25,30H,18-20H2,1-7H3/t21-,22-,25-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 483.73 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 89456897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).