tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate

C14H27NO3 — CID 69177709

IUPACtert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCCC1CC(C)C(C(C)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-7-11-8-9(2)12(10(3)16)15(11)13(17)18-14(4,5)6/h9-12,16H,7-8H2,1-6H3
InChIKeyPSGMUMUXTWJGSP-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate

tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 69177709) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID69177709
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCCC1CC(C)C(C(C)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-7-11-8-9(2)12(10(3)16)15(11)13(17)18-14(4,5)6/h9-12,16H,7-8H2,1-6H3
InChIKeyPSGMUMUXTWJGSP-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate (CID 69177709) is tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate is CCC1CC(C)C(C(C)O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is PSGMUMUXTWJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-11-8-9(2)12(10(3)16)15(11)13(17)18-14(4,5)6/h9-12,16H,7-8H2,1-6H3.
What are the key properties of tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate?
tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethyl-2-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 69177709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).