2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid

C7H7NO5 — CID 19783557

IUPAC2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO5/c9-3-4(7(12)13)8-5(10)1-2-6(8)11/h1-2,4,9H,3H2,(H,12,13)
InChIKeyJPJWZZQGGZVWOD-UHFFFAOYSA-N
MW185.13 g/mol
LogP-1.64
Rot. Bonds3

About 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid

2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid (PubChem CID 19783557) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid
PubChem CID19783557
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO5/c9-3-4(7(12)13)8-5(10)1-2-6(8)11/h1-2,4,9H,3H2,(H,12,13)
InChIKeyJPJWZZQGGZVWOD-UHFFFAOYSA-N
XLogP-1.64
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
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-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid (CID 19783557) is 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid is O=C(O)C(CO)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid?
The InChIKey is JPJWZZQGGZVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c9-3-4(7(12)13)8-5(10)1-2-6(8)11/h1-2,4,9H,3H2,(H,12,13).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid?
2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid has a molecular weight of 185.13 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 19783557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).