(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate

C15H24N4O5 — CID 121346305

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate
SMILESCC(=O)NCCN1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H24N4O5/c1-12(20)16-5-7-18-10-8-17(9-11-18)6-4-15(23)24-19-13(21)2-3-14(19)22/h2-11H2,1H3,(H,16,20)
InChIKeySULFEUCDHRJWPA-UHFFFAOYSA-N
MW340.38 g/mol
LogP-1.26
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate (PubChem CID 121346305) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate
PubChem CID121346305
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate
SMILESCC(=O)NCCN1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H24N4O5/c1-12(20)16-5-7-18-10-8-17(9-11-18)6-4-15(23)24-19-13(21)2-3-14(19)22/h2-11H2,1H3,(H,16,20)
InChIKeySULFEUCDHRJWPA-UHFFFAOYSA-N
XLogP-1.26
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-[4-[2-oxo-2-(2-oxopyrrolidin-1-yl)oxyethyl]piperazin-1-yl]propanoate
CID 170246411
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-(methylamino)hexanoyl]amino]propanoate
CID 135254373
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-((113C)methyl(15N)amino)(613C)hexanoyl]amino]propanoate
CID 135251395
(2,5-dioxopyrrolidin-1-yl) 3-[[6-(acetylamino)-2-(dimethylamino)(613C)hexanoyl](15N)amino]propanoate
CID 135251379
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 59616514
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
CID 89330987
CID 89330987
2-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]amino]acetic acid
CID 141275620
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate (CID 121346305) is (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate is CC(=O)NCCN1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate?
The InChIKey is SULFEUCDHRJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-12(20)16-5-7-18-10-8-17(9-11-18)6-4-15(23)24-19-13(21)2-3-14(19)22/h2-11H2,1H3,(H,16,20).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate has a molecular weight of 340.38 g/mol, XLogP of -1.26, 7 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) 3-[4-(2-acetamidoethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 121346305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).