tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate

C20H33NO6 — CID 22666872

IUPACtert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate
SMILESCCCCC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C1OC(C)(C)OC1=O
InChIInChI=1S/C20H33NO6/c1-7-8-10-13(15-18(24)27-20(5,6)25-15)16(22)21-12-9-11-14(21)17(23)26-19(2,3)4/h13-15H,7-12H2,1-6H3
InChIKeyGHNJUBJMEWJOKU-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.80
Rot. Bonds6

About tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate

tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate (PubChem CID 22666872) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate
PubChem CID22666872
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Nametert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate
SMILESCCCCC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C1OC(C)(C)OC1=O
InChIInChI=1S/C20H33NO6/c1-7-8-10-13(15-18(24)27-20(5,6)25-15)16(22)21-12-9-11-14(21)17(23)26-19(2,3)4/h13-15H,7-12H2,1-6H3
InChIKeyGHNJUBJMEWJOKU-UHFFFAOYSA-N
XLogP2.80
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate (CID 22666872) is tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate is CCCCC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C1OC(C)(C)OC1=O.
What is the InChIKey of tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate?
The InChIKey is GHNJUBJMEWJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-7-8-10-13(15-18(24)27-20(5,6)25-15)16(22)21-12-9-11-14(21)17(23)26-19(2,3)4/h13-15H,7-12H2,1-6H3.
What are the key properties of tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate?
tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)hexanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 22666872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).