(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate

C16H17N5O9 — CID 138599263

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)CN1C(=O)C=CC1=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H17N5O9/c22-9(6-18-11(24)8-20-12(25)1-2-13(20)26)17-5-10(23)19-7-16(29)30-21-14(27)3-4-15(21)28/h1-2H,3-8H2,(H,17,22)(H,18,24)(H,19,23)
InChIKeyLJGDISFNQOMNCT-UHFFFAOYSA-N
MW423.34 g/mol
LogP-4.13
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 138599263) has the molecular formula C16H17N5O9 and a molecular weight of 423.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate
PubChem CID138599263
Molecular FormulaC16H17N5O9
Molecular Weight423.34 g/mol
Exact Mass423.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)CN1C(=O)C=CC1=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H17N5O9/c22-9(6-18-11(24)8-20-12(25)1-2-13(20)26)17-5-10(23)19-7-16(29)30-21-14(27)3-4-15(21)28/h1-2H,3-8H2,(H,17,22)(H,18,24)(H,19,23)
InChIKeyLJGDISFNQOMNCT-UHFFFAOYSA-N
XLogP-4.13
TPSA188.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 5-4.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate (CID 138599263) is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate is O=C(CNC(=O)CN1C(=O)C=CC1=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The InChIKey is LJGDISFNQOMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O9/c22-9(6-18-11(24)8-20-12(25)1-2-13(20)26)17-5-10(23)19-7-16(29)30-21-14(27)3-4-15(21)28/h1-2H,3-8H2,(H,17,22)(H,18,24)(H,19,23).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 423.34 g/mol, XLogP of -4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 138599263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).