2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid

C9H12N2O6 — CID 63930981

IUPAC2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O6/c12-6(10-17-5-9(15)16)3-4-11-7(13)1-2-8(11)14/h1-5H2,(H,10,12)(H,15,16)
InChIKeyGUAKUIMKUFESDK-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.34
Rot. Bonds6

About 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid

2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid (PubChem CID 63930981) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid
PubChem CID63930981
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O6/c12-6(10-17-5-9(15)16)3-4-11-7(13)1-2-8(11)14/h1-5H2,(H,10,12)(H,15,16)
InChIKeyGUAKUIMKUFESDK-UHFFFAOYSA-N
XLogP-1.34
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid?
The IUPAC name of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid (CID 63930981) is 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid.
What is the SMILES notation for 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid?
The canonical SMILES for 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid is O=C(O)CONC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid?
The InChIKey is GUAKUIMKUFESDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c12-6(10-17-5-9(15)16)3-4-11-7(13)1-2-8(11)14/h1-5H2,(H,10,12)(H,15,16).
What are the key properties of 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid?
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid has a molecular weight of 244.20 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxyacetic acid is sourced from PubChem (CID 63930981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).