tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate

C15H25NO6 — CID 178201481

IUPACtert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
SMILESCCOC(=O)C(C(C)=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO6/c1-6-21-13(18)12(10(2)17)11-9-20-8-7-16(11)14(19)22-15(3,4)5/h11-12H,6-9H2,1-5H3
InChIKeyLDBGCADWWXIONK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate

tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate (PubChem CID 178201481) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
PubChem CID178201481
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Nametert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
SMILESCCOC(=O)C(C(C)=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO6/c1-6-21-13(18)12(10(2)17)11-9-20-8-7-16(11)14(19)22-15(3,4)5/h11-12H,6-9H2,1-5H3
InChIKeyLDBGCADWWXIONK-UHFFFAOYSA-N
XLogP1.39
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
tert-butyl 3-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]morpholine-4-carboxylate
CID 138049565
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate
CID 103554376
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl 3-[(2-ethylcyclohexyl)-hydroxymethyl]morpholine-4-carboxylate
CID 103554180
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 170738312
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731
tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate
CID 103554420

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate (CID 178201481) is tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate is CCOC(=O)C(C(C)=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate?
The InChIKey is LDBGCADWWXIONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6/c1-6-21-13(18)12(10(2)17)11-9-20-8-7-16(11)14(19)22-15(3,4)5/h11-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate?
tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 178201481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).