ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate

C17H20N2O5 — CID 2877522

IUPACethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H20N2O5/c1-2-24-17(22)12-3-5-13(6-4-12)19-15(20)11-14(16(19)21)18-7-9-23-10-8-18/h3-6,14H,2,7-11H2,1H3
InChIKeyMZCXRNNITLKBTM-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.83
Rot. Bonds4

About ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate

ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 2877522) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID2877522
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C17H20N2O5/c1-2-24-17(22)12-3-5-13(6-4-12)19-15(20)11-14(16(19)21)18-7-9-23-10-8-18/h3-6,14H,2,7-11H2,1H3
InChIKeyMZCXRNNITLKBTM-UHFFFAOYSA-N
XLogP0.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
CID 2877201
ethyl 4-[(3S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1048448
4-[(3S)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 710147
ethyl 4-[(3S)-1-(4-morpholin-4-ylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 7214791
ethyl 4-[(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 41284744
ethyl 4-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1388973
ethyl 1-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 17067496
ethyl 4-[(3S)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 98054812
ethyl 4-[(3S)-3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27914302
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 23099156
butyl 4-[(3S)-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 92643211
[4-[(3R)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 1376662

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate (CID 2877522) is ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate is CCOC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1.
What is the InChIKey of ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is MZCXRNNITLKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-2-24-17(22)12-3-5-13(6-4-12)19-15(20)11-14(16(19)21)18-7-9-23-10-8-18/h3-6,14H,2,7-11H2,1H3.
What are the key properties of ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate?
ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 332.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 2877522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).