11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid

C22H30N2O6 — CID 59709141

IUPAC11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid
SMILESO=C(O)CCCCCCC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H30N2O6/c25-18-11-12-19(26)23(18)15-5-8-17(7-3-1-2-4-10-22(29)30)9-6-16-24-20(27)13-14-21(24)28/h11-14,17H,1-10,15-16H2,(H,29,30)
InChIKeyJUDGABPSKDIHCD-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.44
Rot. Bonds15

About 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid

11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid (PubChem CID 59709141) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid.

Molecular Properties

Compound Name11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid
PubChem CID59709141
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC Name11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid
SMILESO=C(O)CCCCCCC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H30N2O6/c25-18-11-12-19(26)23(18)15-5-8-17(7-3-1-2-4-10-22(29)30)9-6-16-24-20(27)13-14-21(24)28/h11-14,17H,1-10,15-16H2,(H,29,30)
InChIKeyJUDGABPSKDIHCD-UHFFFAOYSA-N
XLogP2.44
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
CID 92656
AM-10
CID 4618600
4-(N-Maleimidomethyl)cyclohexane-1-carboxylic Acid
CID 11548799
9-(2,5-dioxopyrrol-1-yl)nonanoic Acid
CID 10729548
10-(2,5-dioxopyrrol-1-yl)decanoic Acid
CID 10801786
12-Maleimido-dodecanoic Acid
CID 15256755
4-(Maleimidoethyl)cyclohexane carboxylic acid
CID 54129126
(2,5-Dioxopyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 11652864
18-Maleimidooctadecanoic acid
CID 15232944
CID 17788007
CID 17788007
2-[1-(2,5-Dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 18318766
20-Maleimidoeicosanoic acid
CID 18958346

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid?
The IUPAC name of 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid (CID 59709141) is 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid.
What is the SMILES notation for 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid?
The canonical SMILES for 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid is O=C(O)CCCCCCC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid?
The InChIKey is JUDGABPSKDIHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6/c25-18-11-12-19(26)23(18)15-5-8-17(7-3-1-2-4-10-22(29)30)9-6-16-24-20(27)13-14-21(24)28/h11-14,17H,1-10,15-16H2,(H,29,30).
What are the key properties of 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid?
11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid has a molecular weight of 418.49 g/mol, XLogP of 2.44, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dioxopyrrol-1-yl)-8-[3-(2,5-dioxopyrrol-1-yl)propyl]undecanoic acid is sourced from PubChem (CID 59709141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).