3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid

C7H9NO5 — CID 68832075

IUPAC3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)CC(O)C1=O
InChIInChI=1S/C7H9NO5/c9-4-3-5(10)8(7(4)13)2-1-6(11)12/h4,9H,1-3H2,(H,11,12)
InChIKeyRIZQGWASBAVZGJ-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.42
Rot. Bonds3

About 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid

3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid (PubChem CID 68832075) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
PubChem CID68832075
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)CC(O)C1=O
InChIInChI=1S/C7H9NO5/c9-4-3-5(10)8(7(4)13)2-1-6(11)12/h4,9H,1-3H2,(H,11,12)
InChIKeyRIZQGWASBAVZGJ-UHFFFAOYSA-N
XLogP-1.42
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.42
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 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid (CID 68832075) is 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid is O=C(O)CCN1C(=O)CC(O)C1=O.
What is the InChIKey of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The InChIKey is RIZQGWASBAVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c9-4-3-5(10)8(7(4)13)2-1-6(11)12/h4,9H,1-3H2,(H,11,12).
What are the key properties of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid?
3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid has a molecular weight of 187.15 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 68832075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).