2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid

C9H11NO5 — CID 66653379

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid
SMILESCC(COCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO5/c1-6(4-15-5-9(13)14)10-7(11)2-3-8(10)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyASEHCVSLHFTAOD-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.60
Rot. Bonds5

About 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid

2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid (PubChem CID 66653379) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid
PubChem CID66653379
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid
SMILESCC(COCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO5/c1-6(4-15-5-9(13)14)10-7(11)2-3-8(10)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyASEHCVSLHFTAOD-UHFFFAOYSA-N
XLogP-0.60
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid (CID 66653379) is 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid is CC(COCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid?
The InChIKey is ASEHCVSLHFTAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-6(4-15-5-9(13)14)10-7(11)2-3-8(10)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid?
2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)propoxy]acetic acid is sourced from PubChem (CID 66653379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).