ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate

C8H13NO4 — CID 13385945

IUPACethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C8H13NO4/c1-2-13-7(11)5-9-4-3-6(10)8(9)12/h6,10H,2-5H2,1H3
InChIKeyJZWFOCRDEOZWEJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.86
Rot. Bonds3

About ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate

ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate (PubChem CID 13385945) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate
PubChem CID13385945
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nameethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate
SMILESCCOC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C8H13NO4/c1-2-13-7(11)5-9-4-3-6(10)8(9)12/h6,10H,2-5H2,1H3
InChIKeyJZWFOCRDEOZWEJ-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 ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate (CID 13385945) is ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate is CCOC(=O)CN1CCC(O)C1=O.
What is the InChIKey of ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
The InChIKey is JZWFOCRDEOZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-13-7(11)5-9-4-3-6(10)8(9)12/h6,10H,2-5H2,1H3.
What are the key properties of ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)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 ethyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 13385945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).