tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate

C15H23NO4 — CID 97071886

IUPACtert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-8-4-6-11(16)10-12(17)13-7-5-9-19-13/h5,7,9,11-12,17H,4,6,8,10H2,1-3H3/t11-,12+/m1/s1
InChIKeyZQXWTCAIRPLXEY-NEPJUHHUSA-N
MW281.35 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate (PubChem CID 97071886) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
PubChem CID97071886
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-8-4-6-11(16)10-12(17)13-7-5-9-19-13/h5,7,9,11-12,17H,4,6,8,10H2,1-3H3/t11-,12+/m1/s1
InChIKeyZQXWTCAIRPLXEY-NEPJUHHUSA-N
XLogP3.10
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
CID 71633671
tert-butyl (2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175846
tert-butyl 2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carboxylate
CID 115755561
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
tert-butyl 2-(2-amino-3-hydroxy-3-phenylpropyl)pyrrolidine-1-carboxylate
CID 77223503
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate (CID 97071886) is tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1.
What is the InChIKey of tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate?
The InChIKey is ZQXWTCAIRPLXEY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-8-4-6-11(16)10-12(17)13-7-5-9-19-13/h5,7,9,11-12,17H,4,6,8,10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97071886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).