tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C13H19NO4 — CID 11402540

IUPACtert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1C=CC(=O)O1
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-8-4-5-9(14)10-6-7-11(15)17-10/h6-7,9-10H,4-5,8H2,1-3H3/t9-,10-/m1/s1
InChIKeyBKOVVSPOITZTAS-NXEZZACHSA-N
MW253.30 g/mol
LogP1.87
Rot. Bonds1

About tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11402540) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID11402540
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1C=CC(=O)O1
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-8-4-5-9(14)10-6-7-11(15)17-10/h6-7,9-10H,4-5,8H2,1-3H3/t9-,10-/m1/s1
InChIKeyBKOVVSPOITZTAS-NXEZZACHSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 11402540) is tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1C=CC(=O)O1.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is BKOVVSPOITZTAS-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,3)18-12(16)14-8-4-5-9(14)10-6-7-11(15)17-10/h6-7,9-10H,4-5,8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11402540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).