methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate

C13H23NO4 — CID 58311587

IUPACmethyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)C1CN(C(C)(C)C)CCO1
InChIInChI=1S/C13H23NO4/c1-13(2,3)14-7-8-18-11(9-14)10(15)5-6-12(16)17-4/h11H,5-9H2,1-4H3
InChIKeyTXWKDOLLGBFTHX-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.01
Rot. Bonds4

About methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate

methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate (PubChem CID 58311587) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate
PubChem CID58311587
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)C1CN(C(C)(C)C)CCO1
InChIInChI=1S/C13H23NO4/c1-13(2,3)14-7-8-18-11(9-14)10(15)5-6-12(16)17-4/h11H,5-9H2,1-4H3
InChIKeyTXWKDOLLGBFTHX-UHFFFAOYSA-N
XLogP1.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate (CID 58311587) is methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate is COC(=O)CCC(=O)C1CN(C(C)(C)C)CCO1.
What is the InChIKey of methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate?
The InChIKey is TXWKDOLLGBFTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)14-7-8-18-11(9-14)10(15)5-6-12(16)17-4/h11H,5-9H2,1-4H3.
What are the key properties of methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate?
methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate has a molecular weight of 257.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-tert-butylmorpholin-2-yl)-4-oxobutanoate is sourced from PubChem (CID 58311587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).