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

C19H29NO8 — CID 158949468

IUPAC2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCCC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H29NO8/c21-16(5-2-1-3-9-20-17(22)7-8-18(20)23)6-4-10-26-11-12-27-13-14-28-15-19(24)25/h7-8H,1-6,9-15H2,(H,24,25)
InChIKeyQHWOGOKUSCEONT-UHFFFAOYSA-N
MW399.44 g/mol
LogP0.96
Rot. Bonds18

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

2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid (PubChem CID 158949468) has the molecular formula C19H29NO8 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
PubChem CID158949468
Molecular FormulaC19H29NO8
Molecular Weight399.44 g/mol
Exact Mass399.19
IUPAC Name2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCCC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H29NO8/c21-16(5-2-1-3-9-20-17(22)7-8-18(20)23)6-4-10-26-11-12-27-13-14-28-15-19(24)25/h7-8H,1-6,9-15H2,(H,24,25)
InChIKeyQHWOGOKUSCEONT-UHFFFAOYSA-N
XLogP0.96
TPSA119.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103
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
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
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
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
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
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
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
3-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]propoxy]propanoic acid
CID 168749936
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid (CID 158949468) is 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCCC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is QHWOGOKUSCEONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO8/c21-16(5-2-1-3-9-20-17(22)7-8-18(20)23)6-4-10-26-11-12-27-13-14-28-15-19(24)25/h7-8H,1-6,9-15H2,(H,24,25).
What are the key properties of 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 399.44 g/mol, XLogP of 0.96, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 158949468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).