(2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate

C19H30N2O5 — CID 59537174

IUPAC(2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H30N2O5/c1-15(2)19(25)20-14-10-8-6-4-3-5-7-9-11-18(24)26-21-16(22)12-13-17(21)23/h1,3-14H2,2H3,(H,20,25)
InChIKeyFLJJNCVSRSKMJV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.80
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate

(2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate (PubChem CID 59537174) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate
PubChem CID59537174
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H30N2O5/c1-15(2)19(25)20-14-10-8-6-4-3-5-7-9-11-18(24)26-21-16(22)12-13-17(21)23/h1,3-14H2,2H3,(H,20,25)
InChIKeyFLJJNCVSRSKMJV-UHFFFAOYSA-N
XLogP2.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.80
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
(2,5-Dioxopyrrolidin-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 18671261
(2,5-Dioxopyrrolidin-1-yl) 11-(methylamino)undecanoate
CID 57554228
(2,5-Dioxopyrrolidin-1-yl) 12-acetamidododecanoate
CID 58482186
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2-methylprop-2-enoylamino)hexanoate
CID 78323963
8-[3-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)propionylamino]octanoic acid 2,5-dioxopyrrolidin-1-yl ester
CID 87218236
(2,5-Dioxopyrrolidin-1-yl) 8-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]octanoate
CID 87617279
(2,5-Dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)hexanoate
CID 88599586
(2,5-Dioxopyrrolidin-1-yl) 12-(prop-2-enoylamino)dodecanoate
CID 88624391
(2,5-Dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate
CID 88910449
(2,5-Dioxopyrrolidin-1-yl) 8-[8-(methylamino)octanoylamino]octanoate
CID 90201558
(2,5-Dioxopyrrolidin-1-yl) 8-(methylamino)-8-oxooctanoate
CID 132227280

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate (CID 59537174) is (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate is C=C(C)C(=O)NCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate?
The InChIKey is FLJJNCVSRSKMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-15(2)19(25)20-14-10-8-6-4-3-5-7-9-11-18(24)26-21-16(22)12-13-17(21)23/h1,3-14H2,2H3,(H,20,25).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate?
(2,5-dioxopyrrolidin-1-yl) 11-(2-methylprop-2-enoylamino)undecanoate has a molecular weight of 366.46 g/mol, XLogP of 2.80, 13 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) 11-(2-methylprop-2-enoylamino)undecanoate is sourced from PubChem (CID 59537174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).