(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate

C14H18N2O6 — CID 130469267

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6,10,17H,1-4,7-9H2
InChIKeyISKXSPUICGOFAD-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.13
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate (PubChem CID 130469267) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate
PubChem CID130469267
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6,10,17H,1-4,7-9H2
InChIKeyISKXSPUICGOFAD-UHFFFAOYSA-N
XLogP-0.13
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 67280080
1-[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-hydroxyhexyl]pyrrole-2,5-dione
CID 69296093
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 87148374
(2,5-dioxopyrrolidin-1-yl) 4-[(2-hydroxy-5-oxo-2H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 88918448
(2,5-dioxopyrrolidin-1-yl) 3-[(2R)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate
CID 90175815
(2-Hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 91488977
amino 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate
CID 117888880
(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate
CID 118287001
(2,5-dioxopyrrolidin-1-yl) 6-[(2S)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoate
CID 118475763
(2,5-dioxopyrrolidin-1-yl) 6-(5-oxo-2H-pyrrol-1-yl)hexanoate
CID 126641212

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate (CID 130469267) is (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate?
The InChIKey is ISKXSPUICGOFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6,10,17H,1-4,7-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate has a molecular weight of 310.31 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoate is sourced from PubChem (CID 130469267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).