ethyl 2-tert-butylmorpholine-4-carboxylate

C11H21NO3 — CID 129255659

IUPACethyl 2-tert-butylmorpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-5-14-10(13)12-6-7-15-9(8-12)11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyLRZYHKOXIZQCKP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds1

About ethyl 2-tert-butylmorpholine-4-carboxylate

ethyl 2-tert-butylmorpholine-4-carboxylate (PubChem CID 129255659) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-tert-butylmorpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butylmorpholine-4-carboxylate
PubChem CID129255659
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-tert-butylmorpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-5-14-10(13)12-6-7-15-9(8-12)11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyLRZYHKOXIZQCKP-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butylmorpholine-4-carboxylate?
The IUPAC name of ethyl 2-tert-butylmorpholine-4-carboxylate (CID 129255659) is ethyl 2-tert-butylmorpholine-4-carboxylate.
What is the SMILES notation for ethyl 2-tert-butylmorpholine-4-carboxylate?
The canonical SMILES for ethyl 2-tert-butylmorpholine-4-carboxylate is CCOC(=O)N1CCOC(C(C)(C)C)C1.
What is the InChIKey of ethyl 2-tert-butylmorpholine-4-carboxylate?
The InChIKey is LRZYHKOXIZQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-14-10(13)12-6-7-15-9(8-12)11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 2-tert-butylmorpholine-4-carboxylate?
ethyl 2-tert-butylmorpholine-4-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butylmorpholine-4-carboxylate is sourced from PubChem (CID 129255659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).