2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate

C8H13NO4 — CID 15224821

IUPAC2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CC(O)CC1=O
InChIInChI=1S/C8H13NO4/c1-6(10)13-3-2-9-5-7(11)4-8(9)12/h7,11H,2-5H2,1H3
InChIKeyXBZXYILFISUTDL-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.86
Rot. Bonds3

About 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate

2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate (PubChem CID 15224821) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate
PubChem CID15224821
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CC(O)CC1=O
InChIInChI=1S/C8H13NO4/c1-6(10)13-3-2-9-5-7(11)4-8(9)12/h7,11H,2-5H2,1H3
InChIKeyXBZXYILFISUTDL-UHFFFAOYSA-N
XLogP-0.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate (CID 15224821) is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate is CC(=O)OCCN1CC(O)CC1=O.
What is the InChIKey of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate?
The InChIKey is XBZXYILFISUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)13-3-2-9-5-7(11)4-8(9)12/h7,11H,2-5H2,1H3.
What are the key properties of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate?
2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate has a molecular weight of 187.19 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)ethyl acetate is sourced from PubChem (CID 15224821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).