3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C26H43NO11 — CID 162034103

IUPAC3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCCOCCOCCCC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C26H43NO11/c28-23(5-2-1-3-10-27-24(29)7-8-25(27)30)6-4-11-33-13-15-35-17-19-37-21-22-38-20-18-36-16-14-34-12-9-26(31)32/h7-8H,1-6,9-22H2,(H,31,32)
InChIKeyGPFIZKCPVHKOOC-UHFFFAOYSA-N
MW545.63 g/mol
LogP1.40
Rot. Bonds28

About 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 162034103) has the molecular formula C26H43NO11 and a molecular weight of 545.63 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID162034103
Molecular FormulaC26H43NO11
Molecular Weight545.63 g/mol
Exact Mass545.28
IUPAC Name3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCCOCCOCCCC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C26H43NO11/c28-23(5-2-1-3-10-27-24(29)7-8-25(27)30)6-4-11-33-13-15-35-17-19-37-21-22-38-20-18-36-16-14-34-12-9-26(31)32/h7-8H,1-6,9-22H2,(H,31,32)
InChIKeyGPFIZKCPVHKOOC-UHFFFAOYSA-N
XLogP1.40
TPSA147.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.63
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034105
2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
CID 158949468
22-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-20-oxodocosanoic acid
CID 123221615
1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,28-dioxononacosoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 123169604
3-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]propoxy]propanoic acid
CID 168749936
bis(3-[6-[2-[3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]propanoylamino]ethoxy]-4-oxohexoxy]propanoic acid);3-[2-[3-[6-[2-[3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]propanoylamino]ethoxy]-4-oxohexoxy]propanoylamino]ethoxy]propanoic acid
CID 167632097
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid
CID 158933695
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
3-[4-[3-[4-(2-carboxyethoxy)butanoyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]phenyl]-4-oxobutoxy]propanoic acid
CID 164994487
S-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl] 5-[5-[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]sulfanyl-5-oxopentoxy]pentanethioate
CID 158165521
3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 159367854

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 162034103) is 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOCCOCCOCCCC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is GPFIZKCPVHKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO11/c28-23(5-2-1-3-10-27-24(29)7-8-25(27)30)6-4-11-33-13-15-35-17-19-37-21-22-38-20-18-36-16-14-34-12-9-26(31)32/h7-8H,1-6,9-22H2,(H,31,32).
What are the key properties of 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 545.63 g/mol, XLogP of 1.40, 28 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 162034103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).