ethyl 2-(5-oxopyrrolidin-2-yl)acetate

C8H13NO3 — CID 14587546

IUPACethyl 2-(5-oxopyrrolidin-2-yl)acetate
SMILESCCOC(=O)CC1CCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)5-6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyYWXNHKPRAUFNLS-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds3

About ethyl 2-(5-oxopyrrolidin-2-yl)acetate

ethyl 2-(5-oxopyrrolidin-2-yl)acetate (PubChem CID 14587546) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-(5-oxopyrrolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxopyrrolidin-2-yl)acetate
PubChem CID14587546
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-(5-oxopyrrolidin-2-yl)acetate
SMILESCCOC(=O)CC1CCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)5-6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyYWXNHKPRAUFNLS-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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Related Compounds

Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558761
2-(5-Oxopyrrolidin-2-yl)acetic acid
CID 25098
Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558769
Methyl 2-(pyrrolidin-2-yl)acetate
CID 5323862
Methyl (5-oxopyrrolidin-2-yl)acetate
CID 14587545
Hexanoic acid, 6-(acetylamino)-, ethyl ester
CID 15881002
methyl 2-[(2S)-pyrrolidin-2-yl]acetate hydrochloride
CID 11593534
Ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 50988249
Methyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 66745408
methyl 2-((2R)-pyrrolidin-2-yl)acetate hydrochloride
CID 68738055
Methyl 2-(5-oxopyrrolidin-2-yl)propanoate
CID 70510384
CID 5459888
CID 5459888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxopyrrolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(5-oxopyrrolidin-2-yl)acetate (CID 14587546) is ethyl 2-(5-oxopyrrolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxopyrrolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxopyrrolidin-2-yl)acetate is CCOC(=O)CC1CCC(=O)N1.
What is the InChIKey of ethyl 2-(5-oxopyrrolidin-2-yl)acetate?
The InChIKey is YWXNHKPRAUFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-8(11)5-6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of ethyl 2-(5-oxopyrrolidin-2-yl)acetate?
ethyl 2-(5-oxopyrrolidin-2-yl)acetate 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 ethyl 2-(5-oxopyrrolidin-2-yl)acetate is sourced from PubChem (CID 14587546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).