ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate

C15H25NO5 — CID 70226581

IUPACethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(CCC2(C)OCCO2)CC1C
InChIInChI=1S/C15H25NO5/c1-4-19-13(17)10-16-11(2)9-12(14(16)18)5-6-15(3)20-7-8-21-15/h11-12H,4-10H2,1-3H3
InChIKeyBLAIFFIWPQSOHF-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.33
Rot. Bonds6

About ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate

ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate (PubChem CID 70226581) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate
PubChem CID70226581
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nameethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(CCC2(C)OCCO2)CC1C
InChIInChI=1S/C15H25NO5/c1-4-19-13(17)10-16-11(2)9-12(14(16)18)5-6-15(3)20-7-8-21-15/h11-12H,4-10H2,1-3H3
InChIKeyBLAIFFIWPQSOHF-UHFFFAOYSA-N
XLogP1.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate (CID 70226581) is ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(CCC2(C)OCCO2)CC1C.
What is the InChIKey of ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is BLAIFFIWPQSOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-4-19-13(17)10-16-11(2)9-12(14(16)18)5-6-15(3)20-7-8-21-15/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate?
ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 299.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 70226581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).