(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen

C17H23N3O7 — CID 143747921

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O.[H][H]
InChIInChI=1S/C17H21N3O7.H2/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25;/h5-6H,1-4,7-11H2,(H,18,21);1H
InChIKeyQPUJQGWULGLQPT-UHFFFAOYSA-N
MW381.39 g/mol
LogP-0.17
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen

(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen (PubChem CID 143747921) has the molecular formula C17H23N3O7 and a molecular weight of 381.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen
PubChem CID143747921
Molecular FormulaC17H23N3O7
Molecular Weight381.39 g/mol
Exact Mass381.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O.[H][H]
InChIInChI=1S/C17H21N3O7.H2/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25;/h5-6H,1-4,7-11H2,(H,18,21);1H
InChIKeyQPUJQGWULGLQPT-UHFFFAOYSA-N
XLogP-0.17
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
N-Succinimidyl 6-[[4-(N-Maleimidomethyl)cyclohexyl]carboxamido]hexanoate
CID 3564731
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
(2,5-Dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 9976006
(2,5-Dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
CID 13421309
(2,5-Dioxopyrrolidin-1-yl) 7-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]heptanoate
CID 20779687
2,5-Dioxopyrrolidin-1-yl 7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoate
CID 21646446
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 23082419

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen (CID 143747921) is (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen is O=C(CCN1C(=O)C=CC1=O)NCCCCCC(=O)ON1C(=O)CCC1=O.[H][H].
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen?
The InChIKey is QPUJQGWULGLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O7.H2/c21-12(9-11-19-13(22)5-6-14(19)23)18-10-3-1-2-4-17(26)27-20-15(24)7-8-16(20)25;/h5-6H,1-4,7-11H2,(H,18,21);1H.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen?
(2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen has a molecular weight of 381.39 g/mol, XLogP of -0.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate;molecular hydrogen is sourced from PubChem (CID 143747921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).