tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate

C15H29NO3 — CID 10468437

IUPACtert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate
SMILESCCCC[C@@H]1CCC(OCC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-8-9-12-10-11-13(18-7-2)16(12)14(17)19-15(3,4)5/h12-13H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyXLMYGUPMIAVXSM-PZORYLMUSA-N
MW271.40 g/mol
LogP3.94
Rot. Bonds5

About tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate

tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate (PubChem CID 10468437) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate
PubChem CID10468437
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate
SMILESCCCC[C@@H]1CCC(OCC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-8-9-12-10-11-13(18-7-2)16(12)14(17)19-15(3,4)5/h12-13H,6-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyXLMYGUPMIAVXSM-PZORYLMUSA-N
XLogP3.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate (CID 10468437) is tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate is CCCC[C@@H]1CCC(OCC)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate?
The InChIKey is XLMYGUPMIAVXSM-PZORYLMUSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-8-9-12-10-11-13(18-7-2)16(12)14(17)19-15(3,4)5/h12-13H,6-11H2,1-5H3/t12-,13?/m1/s1.
What are the key properties of tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate?
tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).