tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate

C17H30N2O4 — CID 110624479

IUPACtert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)C(C)(C)CO1
InChIInChI=1S/C17H30N2O4/c1-12-10-19(17(5,6)11-22-12)14(20)13-8-7-9-18(13)15(21)23-16(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyNXJHLVFGTHWPGH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.41
Rot. Bonds1

About tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 110624479) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
PubChem CID110624479
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)C(C)(C)CO1
InChIInChI=1S/C17H30N2O4/c1-12-10-19(17(5,6)11-22-12)14(20)13-8-7-9-18(13)15(21)23-16(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyNXJHLVFGTHWPGH-UHFFFAOYSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate (CID 110624479) is tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate is CC1CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)C(C)(C)CO1.
What is the InChIKey of tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is NXJHLVFGTHWPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12-10-19(17(5,6)11-22-12)14(20)13-8-7-9-18(13)15(21)23-16(2,3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 110624479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).