3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid

C10H13NO6 — CID 158933695

IUPAC3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)7-17-6-5-16-4-3-10(14)15/h1-2H,3-7H2,(H,14,15)
InChIKeyMCJDKTWPMGBJQE-UHFFFAOYSA-N
MW243.21 g/mol
LogP-0.62
Rot. Bonds8

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

3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid (PubChem CID 158933695) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid
PubChem CID158933695
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)7-17-6-5-16-4-3-10(14)15/h1-2H,3-7H2,(H,14,15)
InChIKeyMCJDKTWPMGBJQE-UHFFFAOYSA-N
XLogP-0.62
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-0.62
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

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
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
3-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]propoxy]propanoic acid
CID 168749936
3-[2-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoic acid
CID 67514110
3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;molecular hydrogen;pyrrolidine-2,5-dione
CID 177144723
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-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]propanoic acid;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]propanoate
CID 159479557
2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
CID 158949468

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid (CID 158933695) is 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid?
The InChIKey is MCJDKTWPMGBJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-8-1-2-9(13)11(8)7-17-6-5-16-4-3-10(14)15/h1-2H,3-7H2,(H,14,15).
What are the key properties of 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid?
3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid has a molecular weight of 243.21 g/mol, XLogP of -0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,5-dioxopyrrol-1-yl)methoxy]ethoxy]propanoic acid is sourced from PubChem (CID 158933695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).