4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid

C12H16N2O6 — CID 66222068

IUPAC4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCN1C(=O)CCC1=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H16N2O6/c15-9(3-4-14-10(16)1-2-11(14)17)13-8-6-20-5-7(8)12(18)19/h7-8H,1-6H2,(H,13,15)(H,18,19)
InChIKeyMKCZQCMOCDMCQL-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.26
Rot. Bonds5

About 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid

4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66222068) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66222068
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCN1C(=O)CCC1=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H16N2O6/c15-9(3-4-14-10(16)1-2-11(14)17)13-8-6-20-5-7(8)12(18)19/h7-8H,1-6H2,(H,13,15)(H,18,19)
InChIKeyMKCZQCMOCDMCQL-UHFFFAOYSA-N
XLogP-1.26
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid (CID 66222068) is 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid is O=C(CCN1C(=O)CCC1=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is MKCZQCMOCDMCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c15-9(3-4-14-10(16)1-2-11(14)17)13-8-6-20-5-7(8)12(18)19/h7-8H,1-6H2,(H,13,15)(H,18,19).
What are the key properties of 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid?
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).