tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate

C14H29NO3Si — CID 58253332

IUPACtert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate
SMILESCC(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-11(18-19(5,6)7)12-9-8-10-15(12)13(16)17-14(2,3)4/h11-12H,8-10H2,1-7H3/t11?,12-/m0/s1
InChIKeyANAAGNXQNGYQJK-KIYNQFGBSA-N
MW287.48 g/mol
LogP3.63
Rot. Bonds3

About tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate (PubChem CID 58253332) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate
PubChem CID58253332
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Nametert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate
SMILESCC(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3Si/c1-11(18-19(5,6)7)12-9-8-10-15(12)13(16)17-14(2,3)4/h11-12H,8-10H2,1-7H3/t11?,12-/m0/s1
InChIKeyANAAGNXQNGYQJK-KIYNQFGBSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate (CID 58253332) is tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate is CC(O[Si](C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is ANAAGNXQNGYQJK-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-11(18-19(5,6)7)12-9-8-10-15(12)13(16)17-14(2,3)4/h11-12H,8-10H2,1-7H3/t11?,12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 287.48 g/mol, XLogP of 3.63, 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-(1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58253332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).