(2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

C14H18N2O6 — CID 91488977

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1O
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/h5-6,12,19H,1-4,7-9H2
InChIKeyCSGLODXZJBQVSD-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.13
Rot. Bonds7

About (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 91488977) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID91488977
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1O
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/h5-6,12,19H,1-4,7-9H2
InChIKeyCSGLODXZJBQVSD-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
4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxyamino]-4-oxobutanoic acid
CID 88038807
(2-hydroxy-5-oxopyrrolidin-1-yl) (5Z)-5-[(Z)-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]octa-5,7-dienoate
CID 89248556
(2,5-dioxopyrrolidin-1-yl) 6-[(2S)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoate
CID 118475763
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 118567781
(2-Hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 123142218
(2-Hydroxy-5-oxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 123629672
(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-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 91488977) is (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is CSGLODXZJBQVSD-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/h5-6,12,19H,1-4,7-9H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-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-hydroxy-5-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 91488977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).