tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C14H21NO4 — CID 24885284

IUPACtert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC1=C[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C14H21NO4/c1-9-8-11(18-12(9)16)10-6-5-7-15(10)13(17)19-14(2,3)4/h8,10-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyJWTVGVNPMMPTBV-GHMZBOCLSA-N
MW267.32 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 24885284) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID24885284
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC1=C[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C14H21NO4/c1-9-8-11(18-12(9)16)10-6-5-7-15(10)13(17)19-14(2,3)4/h8,10-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyJWTVGVNPMMPTBV-GHMZBOCLSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.26
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)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 24885284) is tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is CC1=C[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is JWTVGVNPMMPTBV-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-8-11(18-12(9)16)10-6-5-7-15(10)13(17)19-14(2,3)4/h8,10-11H,5-7H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.26, 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)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24885284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).