ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate

C14H23NO5 — CID 13306703

IUPACethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCCOC(=O)CCC1(CCC(=O)OCC)CCC(=O)N1
InChIInChI=1S/C14H23NO5/c1-3-19-12(17)6-9-14(8-5-11(16)15-14)10-7-13(18)20-4-2/h3-10H2,1-2H3,(H,15,16)
InChIKeyZNRXVCLDCMIOIF-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.32
Rot. Bonds8

About ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate

ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 13306703) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate
PubChem CID13306703
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCCOC(=O)CCC1(CCC(=O)OCC)CCC(=O)N1
InChIInChI=1S/C14H23NO5/c1-3-19-12(17)6-9-14(8-5-11(16)15-14)10-7-13(18)20-4-2/h3-10H2,1-2H3,(H,15,16)
InChIKeyZNRXVCLDCMIOIF-UHFFFAOYSA-N
XLogP1.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate (CID 13306703) is ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate is CCOC(=O)CCC1(CCC(=O)OCC)CCC(=O)N1.
What is the InChIKey of ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is ZNRXVCLDCMIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-3-19-12(17)6-9-14(8-5-11(16)15-14)10-7-13(18)20-4-2/h3-10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 285.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-ethoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 13306703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).