(5-oxopyrrolidin-3-yl) 2-hydroxyacetate

C6H9NO4 — CID 126994845

IUPAC(5-oxopyrrolidin-3-yl) 2-hydroxyacetate
SMILESO=C1CC(OC(=O)CO)CN1
InChIInChI=1S/C6H9NO4/c8-3-6(10)11-4-1-5(9)7-2-4/h4,8H,1-3H2,(H,7,9)
InChIKeyOZUNNLJDLODBAK-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.59
Rot. Bonds2

About (5-oxopyrrolidin-3-yl) 2-hydroxyacetate

(5-oxopyrrolidin-3-yl) 2-hydroxyacetate (PubChem CID 126994845) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl) 2-hydroxyacetate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl) 2-hydroxyacetate
PubChem CID126994845
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(5-oxopyrrolidin-3-yl) 2-hydroxyacetate
SMILESO=C1CC(OC(=O)CO)CN1
InChIInChI=1S/C6H9NO4/c8-3-6(10)11-4-1-5(9)7-2-4/h4,8H,1-3H2,(H,7,9)
InChIKeyOZUNNLJDLODBAK-UHFFFAOYSA-N
XLogP-1.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-3-yl) 2-hydroxyacetate?
The IUPAC name of (5-oxopyrrolidin-3-yl) 2-hydroxyacetate (CID 126994845) is (5-oxopyrrolidin-3-yl) 2-hydroxyacetate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl) 2-hydroxyacetate?
The canonical SMILES for (5-oxopyrrolidin-3-yl) 2-hydroxyacetate is O=C1CC(OC(=O)CO)CN1.
What is the InChIKey of (5-oxopyrrolidin-3-yl) 2-hydroxyacetate?
The InChIKey is OZUNNLJDLODBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-3-6(10)11-4-1-5(9)7-2-4/h4,8H,1-3H2,(H,7,9).
What are the key properties of (5-oxopyrrolidin-3-yl) 2-hydroxyacetate?
(5-oxopyrrolidin-3-yl) 2-hydroxyacetate has a molecular weight of 159.14 g/mol, XLogP of -1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl) 2-hydroxyacetate is sourced from PubChem (CID 126994845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).