ethyl 2-(4-oxopyrrolidin-3-yl)acetate

C8H13NO3 — CID 67937001

IUPACethyl 2-(4-oxopyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1CNCC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)3-6-4-9-5-7(6)10/h6,9H,2-5H2,1H3
InChIKeyFDSPSGMGCRDONH-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.27
Rot. Bonds3

About ethyl 2-(4-oxopyrrolidin-3-yl)acetate

ethyl 2-(4-oxopyrrolidin-3-yl)acetate (PubChem CID 67937001) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-(4-oxopyrrolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxopyrrolidin-3-yl)acetate
PubChem CID67937001
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-(4-oxopyrrolidin-3-yl)acetate
SMILESCCOC(=O)CC1CNCC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)3-6-4-9-5-7(6)10/h6,9H,2-5H2,1H3
InChIKeyFDSPSGMGCRDONH-UHFFFAOYSA-N
XLogP-0.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxopyrrolidin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-oxopyrrolidin-3-yl)acetate (CID 67937001) is ethyl 2-(4-oxopyrrolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxopyrrolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxopyrrolidin-3-yl)acetate is CCOC(=O)CC1CNCC1=O.
What is the InChIKey of ethyl 2-(4-oxopyrrolidin-3-yl)acetate?
The InChIKey is FDSPSGMGCRDONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-8(11)3-6-4-9-5-7(6)10/h6,9H,2-5H2,1H3.
What are the key properties of ethyl 2-(4-oxopyrrolidin-3-yl)acetate?
ethyl 2-(4-oxopyrrolidin-3-yl)acetate has a molecular weight of 171.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxopyrrolidin-3-yl)acetate is sourced from PubChem (CID 67937001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).