2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid

C8H12N2O5 — CID 63912081

IUPAC2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CN1CCCC1=O
InChIInChI=1S/C8H12N2O5/c11-6(9-15-5-8(13)14)4-10-3-1-2-7(10)12/h1-5H2,(H,9,11)(H,13,14)
InChIKeyITFRSQYGMWPCSR-UHFFFAOYSA-N
MW216.19 g/mol
LogP-1.26
Rot. Bonds5

About 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid

2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid (PubChem CID 63912081) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid
PubChem CID63912081
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CN1CCCC1=O
InChIInChI=1S/C8H12N2O5/c11-6(9-15-5-8(13)14)4-10-3-1-2-7(10)12/h1-5H2,(H,9,11)(H,13,14)
InChIKeyITFRSQYGMWPCSR-UHFFFAOYSA-N
XLogP-1.26
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid (CID 63912081) is 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)CN1CCCC1=O.
What is the InChIKey of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid?
The InChIKey is ITFRSQYGMWPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-6(9-15-5-8(13)14)4-10-3-1-2-7(10)12/h1-5H2,(H,9,11)(H,13,14).
What are the key properties of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid?
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid has a molecular weight of 216.19 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63912081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).