tert-butyl 2,2-dimorpholin-4-ylacetate

C14H26N2O4 — CID 15819192

IUPACtert-butyl 2,2-dimorpholin-4-ylacetate
SMILESCC(C)(C)OC(=O)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(17)12(15-4-8-18-9-5-15)16-6-10-19-11-7-16/h12H,4-11H2,1-3H3
InChIKeyKCZSEEFPIOCKLJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.32
Rot. Bonds3

About tert-butyl 2,2-dimorpholin-4-ylacetate

tert-butyl 2,2-dimorpholin-4-ylacetate (PubChem CID 15819192) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2,2-dimorpholin-4-ylacetate.

Molecular Properties

Compound Nametert-butyl 2,2-dimorpholin-4-ylacetate
PubChem CID15819192
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2,2-dimorpholin-4-ylacetate
SMILESCC(C)(C)OC(=O)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(17)12(15-4-8-18-9-5-15)16-6-10-19-11-7-16/h12H,4-11H2,1-3H3
InChIKeyKCZSEEFPIOCKLJ-UHFFFAOYSA-N
XLogP0.32
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2,2-dimorpholin-4-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimorpholin-4-ylacetate?
The IUPAC name of tert-butyl 2,2-dimorpholin-4-ylacetate (CID 15819192) is tert-butyl 2,2-dimorpholin-4-ylacetate.
What is the SMILES notation for tert-butyl 2,2-dimorpholin-4-ylacetate?
The canonical SMILES for tert-butyl 2,2-dimorpholin-4-ylacetate is CC(C)(C)OC(=O)C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of tert-butyl 2,2-dimorpholin-4-ylacetate?
The InChIKey is KCZSEEFPIOCKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(17)12(15-4-8-18-9-5-15)16-6-10-19-11-7-16/h12H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2,2-dimorpholin-4-ylacetate?
tert-butyl 2,2-dimorpholin-4-ylacetate has a molecular weight of 286.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimorpholin-4-ylacetate is sourced from PubChem (CID 15819192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).