(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate

C14H16N4O7 — CID 134451502

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
SMILESO=C(NCCC(=O)ON1C(=O)CCC1=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N4O7/c19-9-1-2-10(20)17(9)8-7-16-14(24)15-6-5-13(23)25-18-11(21)3-4-12(18)22/h1-2H,3-8H2,(H2,15,16,24)
InChIKeySYUQCUYGIWOMKH-UHFFFAOYSA-N
MW352.30 g/mol
LogP-1.79
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate (PubChem CID 134451502) has the molecular formula C14H16N4O7 and a molecular weight of 352.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
PubChem CID134451502
Molecular FormulaC14H16N4O7
Molecular Weight352.30 g/mol
Exact Mass352.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate
SMILESO=C(NCCC(=O)ON1C(=O)CCC1=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N4O7/c19-9-1-2-10(20)17(9)8-7-16-14(24)15-6-5-13(23)25-18-11(21)3-4-12(18)22/h1-2H,3-8H2,(H2,15,16,24)
InChIKeySYUQCUYGIWOMKH-UHFFFAOYSA-N
XLogP-1.79
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate (CID 134451502) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate is O=C(NCCC(=O)ON1C(=O)CCC1=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
The InChIKey is SYUQCUYGIWOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O7/c19-9-1-2-10(20)17(9)8-7-16-14(24)15-6-5-13(23)25-18-11(21)3-4-12(18)22/h1-2H,3-8H2,(H2,15,16,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate has a molecular weight of 352.30 g/mol, XLogP of -1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 134451502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).