2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid

C25H38N2O5Sn — CID 19967724

IUPAC2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)N(CC(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H11N2O5.3C4H9.Sn/c16-10-6-7-11(17)15(10)14(8-12(18)19)13(20)9-4-2-1-3-5-9;3*1-3-4-2;/h2-5H,6-8H2,(H,18,19);3*1,3-4H2,2H3;
InChIKeyUHQDCRSMYAEDPK-UHFFFAOYSA-N
MW565.30 g/mol
LogP4.33
Rot. Bonds14

About 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid

2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid (PubChem CID 19967724) has the molecular formula C25H38N2O5Sn and a molecular weight of 565.30 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid
PubChem CID19967724
Molecular FormulaC25H38N2O5Sn
Molecular Weight565.30 g/mol
Exact Mass566.18
IUPAC Name2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)N(CC(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H11N2O5.3C4H9.Sn/c16-10-6-7-11(17)15(10)14(8-12(18)19)13(20)9-4-2-1-3-5-9;3*1-3-4-2;/h2-5H,6-8H2,(H,18,19);3*1,3-4H2,2H3;
InChIKeyUHQDCRSMYAEDPK-UHFFFAOYSA-N
XLogP4.33
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic 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 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid (CID 19967724) is 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid is CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)N(CC(=O)O)N2C(=O)CCC2=O)cc1.
What is the InChIKey of 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid?
The InChIKey is UHQDCRSMYAEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O5.3C4H9.Sn/c16-10-6-7-11(17)15(10)14(8-12(18)19)13(20)9-4-2-1-3-5-9;3*1-3-4-2;/h2-5H,6-8H2,(H,18,19);3*1,3-4H2,2H3;.
What are the key properties of 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid?
2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid has a molecular weight of 565.30 g/mol, XLogP of 4.33, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid is sourced from PubChem (CID 19967724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).