(2-oxopyrrolidin-3-yl) butanoate

C8H13NO3 — CID 122691995

IUPAC(2-oxopyrrolidin-3-yl) butanoate
SMILESCCCC(=O)OC1CCNC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-7(10)12-6-4-5-9-8(6)11/h6H,2-5H2,1H3,(H,9,11)
InChIKeySKPZPAFCFVSWJE-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds3

About (2-oxopyrrolidin-3-yl) butanoate

(2-oxopyrrolidin-3-yl) butanoate (PubChem CID 122691995) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl) butanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl) butanoate
PubChem CID122691995
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2-oxopyrrolidin-3-yl) butanoate
SMILESCCCC(=O)OC1CCNC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-7(10)12-6-4-5-9-8(6)11/h6H,2-5H2,1H3,(H,9,11)
InChIKeySKPZPAFCFVSWJE-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl) butanoate?
The IUPAC name of (2-oxopyrrolidin-3-yl) butanoate (CID 122691995) is (2-oxopyrrolidin-3-yl) butanoate.
What is the SMILES notation for (2-oxopyrrolidin-3-yl) butanoate?
The canonical SMILES for (2-oxopyrrolidin-3-yl) butanoate is CCCC(=O)OC1CCNC1=O.
What is the InChIKey of (2-oxopyrrolidin-3-yl) butanoate?
The InChIKey is SKPZPAFCFVSWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-7(10)12-6-4-5-9-8(6)11/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of (2-oxopyrrolidin-3-yl) butanoate?
(2-oxopyrrolidin-3-yl) butanoate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl) butanoate is sourced from PubChem (CID 122691995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).