2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid

C17H18N2O6 — CID 2936834

IUPAC2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid
SMILESO=C(O)C(CCC(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N2O6/c20-14(18-7-9-25-10-8-18)6-5-13(17(23)24)19-15(21)11-3-1-2-4-12(11)16(19)22/h1-4,13H,5-10H2,(H,23,24)
InChIKeyZLOFPKUKXVFIFW-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.37
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid

2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid (PubChem CID 2936834) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid
PubChem CID2936834
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid
SMILESO=C(O)C(CCC(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N2O6/c20-14(18-7-9-25-10-8-18)6-5-13(17(23)24)19-15(21)11-3-1-2-4-12(11)16(19)22/h1-4,13H,5-10H2,(H,23,24)
InChIKeyZLOFPKUKXVFIFW-UHFFFAOYSA-N
XLogP0.37
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
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 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid (CID 2936834) is 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid is O=C(O)C(CCC(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid?
The InChIKey is ZLOFPKUKXVFIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c20-14(18-7-9-25-10-8-18)6-5-13(17(23)24)19-15(21)11-3-1-2-4-12(11)16(19)22/h1-4,13H,5-10H2,(H,23,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid?
2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid has a molecular weight of 346.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-5-morpholin-4-yl-5-oxopentanoic acid is sourced from PubChem (CID 2936834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).