ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate

C14H24N2O4 — CID 21311669

IUPACethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate
SMILESCCOC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C
InChIInChI=1S/C14H24N2O4/c1-5-10(13(19)15-9-12(18)20-6-2)16-11(17)7-8-14(16,3)4/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyYYPAPCAWJANDDP-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.85
Rot. Bonds6

About ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate

ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate (PubChem CID 21311669) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate
PubChem CID21311669
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate
SMILESCCOC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C
InChIInChI=1S/C14H24N2O4/c1-5-10(13(19)15-9-12(18)20-6-2)16-11(17)7-8-14(16,3)4/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyYYPAPCAWJANDDP-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate?
The IUPAC name of ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate (CID 21311669) is ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate is CCOC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C.
What is the InChIKey of ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate?
The InChIKey is YYPAPCAWJANDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-5-10(13(19)15-9-12(18)20-6-2)16-11(17)7-8-14(16,3)4/h10H,5-9H2,1-4H3,(H,15,19).
What are the key properties of ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate?
ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate has a molecular weight of 284.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanoylamino]acetate is sourced from PubChem (CID 21311669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).