ethyl 4-morpholin-4-yl-2,4-dioxobutanoate

C10H15NO5 — CID 86682312

IUPACethyl 4-morpholin-4-yl-2,4-dioxobutanoate
SMILESCCOC(=O)C(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-2-16-10(14)8(12)7-9(13)11-3-5-15-6-4-11/h2-7H2,1H3
InChIKeyCMABHJNGMRKWOQ-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.63
Rot. Bonds4

About ethyl 4-morpholin-4-yl-2,4-dioxobutanoate

ethyl 4-morpholin-4-yl-2,4-dioxobutanoate (PubChem CID 86682312) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-2,4-dioxobutanoate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-2,4-dioxobutanoate
PubChem CID86682312
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Nameethyl 4-morpholin-4-yl-2,4-dioxobutanoate
SMILESCCOC(=O)C(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C10H15NO5/c1-2-16-10(14)8(12)7-9(13)11-3-5-15-6-4-11/h2-7H2,1H3
InChIKeyCMABHJNGMRKWOQ-UHFFFAOYSA-N
XLogP-0.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423
O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate
CID 44543254
diethyl 2-morpholin-4-ylbut-2-enedioate
CID 54498414
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121

Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-2,4-dioxobutanoate?
The IUPAC name of ethyl 4-morpholin-4-yl-2,4-dioxobutanoate (CID 86682312) is ethyl 4-morpholin-4-yl-2,4-dioxobutanoate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-2,4-dioxobutanoate?
The canonical SMILES for ethyl 4-morpholin-4-yl-2,4-dioxobutanoate is CCOC(=O)C(=O)CC(=O)N1CCOCC1.
What is the InChIKey of ethyl 4-morpholin-4-yl-2,4-dioxobutanoate?
The InChIKey is CMABHJNGMRKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-16-10(14)8(12)7-9(13)11-3-5-15-6-4-11/h2-7H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-2,4-dioxobutanoate?
ethyl 4-morpholin-4-yl-2,4-dioxobutanoate has a molecular weight of 229.23 g/mol, XLogP of -0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-2,4-dioxobutanoate is sourced from PubChem (CID 86682312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).