(2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate

C14H20N2O5 — CID 18671261

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
SMILESC=C(C)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O5/c1-10(2)14(20)15-9-5-3-4-6-13(19)21-16-11(17)7-8-12(16)18/h1,3-9H2,2H3,(H,15,20)
InChIKeySLWUKPUCCZFJQM-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.85
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate (PubChem CID 18671261) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
PubChem CID18671261
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
SMILESC=C(C)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O5/c1-10(2)14(20)15-9-5-3-4-6-13(19)21-16-11(17)7-8-12(16)18/h1,3-9H2,2H3,(H,15,20)
InChIKeySLWUKPUCCZFJQM-UHFFFAOYSA-N
XLogP0.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate (CID 18671261) is (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate is C=C(C)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate?
The InChIKey is SLWUKPUCCZFJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(2)14(20)15-9-5-3-4-6-13(19)21-16-11(17)7-8-12(16)18/h1,3-9H2,2H3,(H,15,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate has a molecular weight of 296.32 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate is sourced from PubChem (CID 18671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).