(2,5-dioxopiperidin-1-yl) 4-aminobenzoate

C12H12N2O4 — CID 143420894

IUPAC(2,5-dioxopiperidin-1-yl) 4-aminobenzoate
SMILESNc1ccc(C(=O)ON2CC(=O)CCC2=O)cc1
InChIInChI=1S/C12H12N2O4/c13-9-3-1-8(2-4-9)12(17)18-14-7-10(15)5-6-11(14)16/h1-4H,5-7,13H2
InChIKeyTUGPBVVQESSOHZ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.53
Rot. Bonds2

About (2,5-dioxopiperidin-1-yl) 4-aminobenzoate

(2,5-dioxopiperidin-1-yl) 4-aminobenzoate (PubChem CID 143420894) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (2,5-dioxopiperidin-1-yl) 4-aminobenzoate.

Molecular Properties

Compound Name(2,5-dioxopiperidin-1-yl) 4-aminobenzoate
PubChem CID143420894
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(2,5-dioxopiperidin-1-yl) 4-aminobenzoate
SMILESNc1ccc(C(=O)ON2CC(=O)CCC2=O)cc1
InChIInChI=1S/C12H12N2O4/c13-9-3-1-8(2-4-9)12(17)18-14-7-10(15)5-6-11(14)16/h1-4H,5-7,13H2
InChIKeyTUGPBVVQESSOHZ-UHFFFAOYSA-N
XLogP0.53
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopiperidin-1-yl) 4-aminobenzoate 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-dioxopiperidin-1-yl) prop-2-enoate
CID 143635635
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
(2-oxopyrrolidin-1-yl) 4-nitrobenzoate
CID 19909901
1-(4-aminobenzoyl)azepan-3-one
CID 91274921
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
CID 170372063
ethyl 4-aminobenzoate
CID 2337
4-aminobenzenecarbothioic S-acid
CID 18539755

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopiperidin-1-yl) 4-aminobenzoate?
The IUPAC name of (2,5-dioxopiperidin-1-yl) 4-aminobenzoate (CID 143420894) is (2,5-dioxopiperidin-1-yl) 4-aminobenzoate.
What is the SMILES notation for (2,5-dioxopiperidin-1-yl) 4-aminobenzoate?
The canonical SMILES for (2,5-dioxopiperidin-1-yl) 4-aminobenzoate is Nc1ccc(C(=O)ON2CC(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopiperidin-1-yl) 4-aminobenzoate?
The InChIKey is TUGPBVVQESSOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c13-9-3-1-8(2-4-9)12(17)18-14-7-10(15)5-6-11(14)16/h1-4H,5-7,13H2.
What are the key properties of (2,5-dioxopiperidin-1-yl) 4-aminobenzoate?
(2,5-dioxopiperidin-1-yl) 4-aminobenzoate has a molecular weight of 248.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopiperidin-1-yl) 4-aminobenzoate is sourced from PubChem (CID 143420894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).