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

C14H20N2O5 — CID 88599586

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate
SMILESC=C(C)C(=O)NC(CCCC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O5/c1-4-5-6-10(15-13(19)9(2)3)14(20)21-16-11(17)7-8-12(16)18/h10H,2,4-8H2,1,3H3,(H,15,19)
InChIKeyBAYDREWBDBSQLH-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.84
Rot. Bonds7

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

(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate (PubChem CID 88599586) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate
PubChem CID88599586
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate
SMILESC=C(C)C(=O)NC(CCCC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O5/c1-4-5-6-10(15-13(19)9(2)3)14(20)21-16-11(17)7-8-12(16)18/h10H,2,4-8H2,1,3H3,(H,15,19)
InChIKeyBAYDREWBDBSQLH-UHFFFAOYSA-N
XLogP0.84
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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) 2-(2-methylprop-2-enoylamino)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate (CID 88599586) is (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate is C=C(C)C(=O)NC(CCCC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate?
The InChIKey is BAYDREWBDBSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-5-6-10(15-13(19)9(2)3)14(20)21-16-11(17)7-8-12(16)18/h10H,2,4-8H2,1,3H3,(H,15,19).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate has a molecular weight of 296.32 g/mol, XLogP of 0.84, 7 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) 2-(2-methylprop-2-enoylamino)hexanoate is sourced from PubChem (CID 88599586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).