(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate

C14H15N3O7 — CID 155444715

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15N3O7/c18-9(2-1-7-16-10(19)3-4-11(16)20)15-8-14(23)24-17-12(21)5-6-13(17)22/h3-4H,1-2,5-8H2,(H,15,18)
InChIKeyCTOWMXDQZGLCGF-UHFFFAOYSA-N
MW337.29 g/mol
LogP-1.59
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate (PubChem CID 155444715) has the molecular formula C14H15N3O7 and a molecular weight of 337.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate
PubChem CID155444715
Molecular FormulaC14H15N3O7
Molecular Weight337.29 g/mol
Exact Mass337.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate
SMILESO=C(CCCN1C(=O)C=CC1=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15N3O7/c18-9(2-1-7-16-10(19)3-4-11(16)20)15-8-14(23)24-17-12(21)5-6-13(17)22/h3-4H,1-2,5-8H2,(H,15,18)
InChIKeyCTOWMXDQZGLCGF-UHFFFAOYSA-N
XLogP-1.59
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate with MolForge

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Related Compounds

Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
Succinimidyl maleimidopropionate
CID 18546706
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 18653285
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 18673374
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 19597164
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
(2,5-Dioxopyrrolidin-4-id-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;uranium
CID 57552396
Mal-GGG-Bal-NHS ester
CID 57945503
2-Propenamide, N-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-
CID 58220535
(2,5-Dioxopyrrolidin-1-yl) 2-(3-methyl-2,5-dioxopyrrol-1-yl)acetate
CID 58461548

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate (CID 155444715) is (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate is O=C(CCCN1C(=O)C=CC1=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate?
The InChIKey is CTOWMXDQZGLCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O7/c18-9(2-1-7-16-10(19)3-4-11(16)20)15-8-14(23)24-17-12(21)5-6-13(17)22/h3-4H,1-2,5-8H2,(H,15,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate has a molecular weight of 337.29 g/mol, XLogP of -1.59, 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) 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetate is sourced from PubChem (CID 155444715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).