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

C7H8N2O4 — CID 66921412

IUPAC3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid
SMILESO=C(O)CCNN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(5)8-4-3-7(12)13/h1-2,8H,3-4H2,(H,12,13)
InChIKeyHVBMLHSUUCBPIZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.11
Rot. Bonds4

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

3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid (PubChem CID 66921412) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid
PubChem CID66921412
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid
SMILESO=C(O)CCNN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(5)8-4-3-7(12)13/h1-2,8H,3-4H2,(H,12,13)
InChIKeyHVBMLHSUUCBPIZ-UHFFFAOYSA-N
XLogP-1.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid?
The IUPAC name of 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid (CID 66921412) is 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid is O=C(O)CCNN1C(=O)C=CC1=O.
What is the InChIKey of 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid?
The InChIKey is HVBMLHSUUCBPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(5)8-4-3-7(12)13/h1-2,8H,3-4H2,(H,12,13).
What are the key properties of 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid?
3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrol-1-yl)amino]propanoic acid is sourced from PubChem (CID 66921412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).