2-(5-oxopyrrolidin-3-yl)oxyacetic acid

C6H9NO4 — CID 134821209

IUPAC2-(5-oxopyrrolidin-3-yl)oxyacetic acid
SMILESO=C(O)COC1CNC(=O)C1
InChIInChI=1S/C6H9NO4/c8-5-1-4(2-7-5)11-3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyRHVOXDJUQGPHQU-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.02
Rot. Bonds3

About 2-(5-oxopyrrolidin-3-yl)oxyacetic acid

2-(5-oxopyrrolidin-3-yl)oxyacetic acid (PubChem CID 134821209) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-3-yl)oxyacetic acid
PubChem CID134821209
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(5-oxopyrrolidin-3-yl)oxyacetic acid
SMILESO=C(O)COC1CNC(=O)C1
InChIInChI=1S/C6H9NO4/c8-5-1-4(2-7-5)11-3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyRHVOXDJUQGPHQU-UHFFFAOYSA-N
XLogP-1.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxopyrrolidin-3-yl acetate
CID 20452404
3,4-Dimethoxypyrrolin-2-one
CID 22926297
(3R,4S)-3,4-dimethoxypyrrolidin-2-one
CID 134850659
(S)-(-)-3-acetoxy-2-pyrrolidinone
CID 53985717
[(3R)-2-oxopyrrolidin-3-yl] acetate
CID 56615682
(2,5-Dioxopyrrolidin-3-yl) 3-amino-2-hydroxypropanoate
CID 67680960
(2,5-Dioxopyrrolidin-3-yl) 2-hydroxyacetate
CID 68795454
[(3S)-2-oxopyrrolidin-3-yl] propanoate
CID 130723940
(2-Oxopyrrolidin-3-yl) propanoate
CID 130931876
(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one
CID 141034153
(3R,4R)-3,4-dimethoxypyrrolidin-2-one
CID 141034155
3-[(2S)-2-hydroxypropoxy]pyrrolidin-2-one
CID 156349514

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(5-oxopyrrolidin-3-yl)oxyacetic acid (CID 134821209) is 2-(5-oxopyrrolidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-oxopyrrolidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(5-oxopyrrolidin-3-yl)oxyacetic acid is O=C(O)COC1CNC(=O)C1.
What is the InChIKey of 2-(5-oxopyrrolidin-3-yl)oxyacetic acid?
The InChIKey is RHVOXDJUQGPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5-1-4(2-7-5)11-3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-(5-oxopyrrolidin-3-yl)oxyacetic acid?
2-(5-oxopyrrolidin-3-yl)oxyacetic acid has a molecular weight of 159.14 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-3-yl)oxyacetic acid is sourced from PubChem (CID 134821209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).