tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate

C14H23NO5 — CID 162741113

IUPACtert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
SMILESC=C(OCC)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H23NO5/c1-6-18-10(2)12(16)11-9-15(7-8-19-11)13(17)20-14(3,4)5/h11H,2,6-9H2,1,3-5H3
InChIKeyRPYPFZUOCOJSCB-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.74
Rot. Bonds4

About tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate

tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate (PubChem CID 162741113) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
PubChem CID162741113
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nametert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
SMILESC=C(OCC)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H23NO5/c1-6-18-10(2)12(16)11-9-15(7-8-19-11)13(17)20-14(3,4)5/h11H,2,6-9H2,1,3-5H3
InChIKeyRPYPFZUOCOJSCB-UHFFFAOYSA-N
XLogP1.74
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
CID 123976217
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
CID 57449676
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-(2,2-dicyano-1-methoxyethenyl)morpholine-4-carboxylate
CID 178068955
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl (2S)-2-[2-(4-amino-6-methylpyrimidin-5-yl)acetyl]morpholine-4-carboxylate
CID 163864079
ethane;ethyl 2-methylmorpholine-4-carboxylate;1-(2-methylmorpholin-4-yl)ethanone
CID 142506690

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate (CID 162741113) is tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate is C=C(OCC)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate?
The InChIKey is RPYPFZUOCOJSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-6-18-10(2)12(16)11-9-15(7-8-19-11)13(17)20-14(3,4)5/h11H,2,6-9H2,1,3-5H3.
What are the key properties of tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate?
tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate is sourced from PubChem (CID 162741113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).