(2,5-dioxopyrrol-1-yl) 4-aminobutanoate

C8H10N2O4 — CID 123609426

IUPAC(2,5-dioxopyrrol-1-yl) 4-aminobutanoate
SMILESNCCCC(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h3-4H,1-2,5,9H2
InChIKeyHKRMLQNBIGGWJY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.89
Rot. Bonds4

About (2,5-dioxopyrrol-1-yl) 4-aminobutanoate

(2,5-dioxopyrrol-1-yl) 4-aminobutanoate (PubChem CID 123609426) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 4-aminobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 4-aminobutanoate
PubChem CID123609426
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2,5-dioxopyrrol-1-yl) 4-aminobutanoate
SMILESNCCCC(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h3-4H,1-2,5,9H2
InChIKeyHKRMLQNBIGGWJY-UHFFFAOYSA-N
XLogP-0.89
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrol-1-yl) 4-aminobutanoate 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

(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
[2-(2,5-Dioxopyrrol-1-yl)ethylamino] 4-amino-4-oxobutanoate
CID 89054837
[(4-Amino-4-oxobutanoyl)amino] 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 139935555
(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide
CID 175240209

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) 4-aminobutanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 4-aminobutanoate (CID 123609426) is (2,5-dioxopyrrol-1-yl) 4-aminobutanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 4-aminobutanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 4-aminobutanoate is NCCCC(=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 4-aminobutanoate?
The InChIKey is HKRMLQNBIGGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h3-4H,1-2,5,9H2.
What are the key properties of (2,5-dioxopyrrol-1-yl) 4-aminobutanoate?
(2,5-dioxopyrrol-1-yl) 4-aminobutanoate has a molecular weight of 198.18 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 4-aminobutanoate is sourced from PubChem (CID 123609426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).