4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid

C8H10N2O4 — CID 174530584

IUPAC4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
SMILESNC(CCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c9-5(1-4-8(13)14)10-6(11)2-3-7(10)12/h2-3,5H,1,4,9H2,(H,13,14)
InChIKeyXJEUJVYXUNBXFX-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.94
Rot. Bonds4

About 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid

4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid (PubChem CID 174530584) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
PubChem CID174530584
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
SMILESNC(CCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c9-5(1-4-8(13)14)10-6(11)2-3-7(10)12/h2-3,5H,1,4,9H2,(H,13,14)
InChIKeyXJEUJVYXUNBXFX-UHFFFAOYSA-N
XLogP-0.94
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-Maleimidobutyric Acid
CID 3404904
4,4-Bis(prop-2-enoylamino)butanoic acid
CID 56988156
4-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]-4-oxobutanoic acid
CID 57895402
2-Amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 57903885
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;pyrrolidine-2,5-dione
CID 66628189
4-(2,5-Dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 66899997
4-(2,5-dioxopyrrol-1-yl)butanoic acid;N'-hydroxybutanediamide
CID 87475313
4-[3-(2,5-Dioxopyrrol-1-yl)propylsulfamoylamino]butanoic acid
CID 118423956
4-[3-(2,5-Dioxopyrrol-1-yl)propylsulfinamoylamino]butanoic acid
CID 118426386
4-[2-(2,5-Dioxopyrrol-1-yl)ethyl-[2-(prop-2-enoylamino)ethyl]amino]-4-oxobutanoic acid
CID 134298277
4-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
4-[[2-[4-(2,5-Dioxopyrrol-1-yl)butanoylamino]acetyl]amino]butanoic acid
CID 156462590

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The IUPAC name of 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid (CID 174530584) is 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid is NC(CCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The InChIKey is XJEUJVYXUNBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5(1-4-8(13)14)10-6(11)2-3-7(10)12/h2-3,5H,1,4,9H2,(H,13,14).
What are the key properties of 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid is sourced from PubChem (CID 174530584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).