ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate

C17H22N2O5 — CID 2850011

IUPACethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate
SMILESCCCOc1ccc(N2C(=O)CC(NCC(=O)OCC)C2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-3-9-24-13-7-5-12(6-8-13)19-15(20)10-14(17(19)22)18-11-16(21)23-4-2/h5-8,14,18H,3-4,9-11H2,1-2H3
InChIKeyGEFPKERZXGITDK-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.26
Rot. Bonds8

About ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate

ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate (PubChem CID 2850011) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate
PubChem CID2850011
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate
SMILESCCCOc1ccc(N2C(=O)CC(NCC(=O)OCC)C2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-3-9-24-13-7-5-12(6-8-13)19-15(20)10-14(17(19)22)18-11-16(21)23-4-2/h5-8,14,18H,3-4,9-11H2,1-2H3
InChIKeyGEFPKERZXGITDK-UHFFFAOYSA-N
XLogP1.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate (CID 2850011) is ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate is CCCOc1ccc(N2C(=O)CC(NCC(=O)OCC)C2=O)cc1.
What is the InChIKey of ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate?
The InChIKey is GEFPKERZXGITDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-9-24-13-7-5-12(6-8-13)19-15(20)10-14(17(19)22)18-11-16(21)23-4-2/h5-8,14,18H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate?
ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate has a molecular weight of 334.37 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate is sourced from PubChem (CID 2850011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).