tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate

C24H45NO8 — CID 161080522

IUPACtert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
SMILESCC[C@@H]1C[C@@H](OCCOCCOCCOCCOC2CCCCO2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H45NO8/c1-5-20-18-21(19-25(20)23(26)33-24(2,3)4)30-16-14-28-12-10-27-11-13-29-15-17-32-22-8-6-7-9-31-22/h20-22H,5-19H2,1-4H3/t20-,21-,22?/m1/s1
InChIKeyUFVUJODZNMSDHT-JAZPPYFYSA-N
MW475.62 g/mol
LogP3.38
Rot. Bonds15

About tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate (PubChem CID 161080522) has the molecular formula C24H45NO8 and a molecular weight of 475.62 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
PubChem CID161080522
Molecular FormulaC24H45NO8
Molecular Weight475.62 g/mol
Exact Mass475.31
IUPAC Nametert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
SMILESCC[C@@H]1C[C@@H](OCCOCCOCCOCCOC2CCCCO2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H45NO8/c1-5-20-18-21(19-25(20)23(26)33-24(2,3)4)30-16-14-28-12-10-27-11-13-29-15-17-32-22-8-6-7-9-31-22/h20-22H,5-19H2,1-4H3/t20-,21-,22?/m1/s1
InChIKeyUFVUJODZNMSDHT-JAZPPYFYSA-N
XLogP3.38
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate (CID 161080522) is tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate is CC[C@@H]1C[C@@H](OCCOCCOCCOCCOC2CCCCO2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate?
The InChIKey is UFVUJODZNMSDHT-JAZPPYFYSA-N. The full InChI is InChI=1S/C24H45NO8/c1-5-20-18-21(19-25(20)23(26)33-24(2,3)4)30-16-14-28-12-10-27-11-13-29-15-17-32-22-8-6-7-9-31-22/h20-22H,5-19H2,1-4H3/t20-,21-,22?/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate has a molecular weight of 475.62 g/mol, XLogP of 3.38, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-ethyl-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 161080522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).