ethyl 2-(2-oxopyrrolidin-1-yl)butanoate

C10H17NO3 — CID 14438681

IUPACethyl 2-(2-oxopyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(10(13)14-4-2)11-7-5-6-9(11)12/h8H,3-7H2,1-2H3
InChIKeySHDMCZAXOGVTRN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds4

About ethyl 2-(2-oxopyrrolidin-1-yl)butanoate

ethyl 2-(2-oxopyrrolidin-1-yl)butanoate (PubChem CID 14438681) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(2-oxopyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-oxopyrrolidin-1-yl)butanoate
PubChem CID14438681
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(2-oxopyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(10(13)14-4-2)11-7-5-6-9(11)12/h8H,3-7H2,1-2H3
InChIKeySHDMCZAXOGVTRN-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxopyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-oxopyrrolidin-1-yl)butanoate (CID 14438681) is ethyl 2-(2-oxopyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-oxopyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-oxopyrrolidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCC1=O.
What is the InChIKey of ethyl 2-(2-oxopyrrolidin-1-yl)butanoate?
The InChIKey is SHDMCZAXOGVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(10(13)14-4-2)11-7-5-6-9(11)12/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-oxopyrrolidin-1-yl)butanoate?
ethyl 2-(2-oxopyrrolidin-1-yl)butanoate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxopyrrolidin-1-yl)butanoate is sourced from PubChem (CID 14438681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).