4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane

C14H26N2O5 — CID 90799203

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane
SMILESCC.CCC.O=C(O)CCC(=O)NCN1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O5.C3H8.C2H6/c12-6(1-4-9(15)16)10-5-11-7(13)2-3-8(11)14;1-3-2;1-2/h1-5H2,(H,10,12)(H,15,16);3H2,1-2H3;1-2H3
InChIKeyCKSCOKHNJUHFHX-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.52
Rot. Bonds5

About 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane

4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane (PubChem CID 90799203) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane
PubChem CID90799203
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane
SMILESCC.CCC.O=C(O)CCC(=O)NCN1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O5.C3H8.C2H6/c12-6(1-4-9(15)16)10-5-11-7(13)2-3-8(11)14;1-3-2;1-2/h1-5H2,(H,10,12)(H,15,16);3H2,1-2H3;1-2H3
InChIKeyCKSCOKHNJUHFHX-UHFFFAOYSA-N
XLogP1.52
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane (CID 90799203) is 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane is CC.CCC.O=C(O)CCC(=O)NCN1C(=O)CCC1=O.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane?
The InChIKey is CKSCOKHNJUHFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5.C3H8.C2H6/c12-6(1-4-9(15)16)10-5-11-7(13)2-3-8(11)14;1-3-2;1-2/h1-5H2,(H,10,12)(H,15,16);3H2,1-2H3;1-2H3.
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane?
4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane has a molecular weight of 302.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane is sourced from PubChem (CID 90799203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).