(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate

C15H24N2O4 — CID 146671025

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate
SMILESC/C=C(\C)N(C)CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O4/c1-4-12(2)16(3)11-7-5-6-8-15(20)21-17-13(18)9-10-14(17)19/h4H,5-11H2,1-3H3/b12-4+
InChIKeyAUHXTDFKVNUKDH-UUILKARUSA-N
MW296.37 g/mol
LogP2.01
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate (PubChem CID 146671025) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate
PubChem CID146671025
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate
SMILESC/C=C(\C)N(C)CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O4/c1-4-12(2)16(3)11-7-5-6-8-15(20)21-17-13(18)9-10-14(17)19/h4H,5-11H2,1-3H3/b12-4+
InChIKeyAUHXTDFKVNUKDH-UUILKARUSA-N
XLogP2.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-trimethylazanium bromide
CID 87129877
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate (CID 146671025) is (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate is C/C=C(\C)N(C)CCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate?
The InChIKey is AUHXTDFKVNUKDH-UUILKARUSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-12(2)16(3)11-7-5-6-8-15(20)21-17-13(18)9-10-14(17)19/h4H,5-11H2,1-3H3/b12-4+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate has a molecular weight of 296.37 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate is sourced from PubChem (CID 146671025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).