2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid

C25H39NO4Sn — CID 19967726

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CC(C(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H12NO4.3C4H9.Sn/c15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;3*1-3-4-2;/h2-5,10H,6-8H2,(H,17,18);3*1,3-4H2,2H3;
InChIKeyGVBIJUWFPINECW-UHFFFAOYSA-N
MW536.30 g/mol
LogP4.89
Rot. Bonds14

About 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid (PubChem CID 19967726) has the molecular formula C25H39NO4Sn and a molecular weight of 536.30 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid
PubChem CID19967726
Molecular FormulaC25H39NO4Sn
Molecular Weight536.30 g/mol
Exact Mass537.19
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CC(C(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H12NO4.3C4H9.Sn/c15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;3*1-3-4-2;/h2-5,10H,6-8H2,(H,17,18);3*1,3-4H2,2H3;
InChIKeyGVBIJUWFPINECW-UHFFFAOYSA-N
XLogP4.89
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.30
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-[(2,5-dioxopyrrolidin-1-yl)-(4-tributylstannylbenzoyl)amino]acetic acid
CID 19967724
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
3-(2,3-dichlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 140569768
(2S)-3-(4-butylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100553874
benzyl 2-(2,5-dioxopyrrolidin-1-yl)octadecanoate
CID 175852678
2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
CID 142287139
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
2-(3,5-dioxothiomorpholin-4-yl)hexanoic acid
CID 104570388
butanoic acid;2-(2,5-dioxopyrrolidin-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoic acid
CID 160944738
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)-3-(4-methylphenyl)propanoic acid
CID 135273333

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid (CID 19967726) is 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid is CCCC[Sn](CCCC)(CCCC)c1ccc(CC(C(=O)O)N2C(=O)CCC2=O)cc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid?
The InChIKey is GVBIJUWFPINECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO4.3C4H9.Sn/c15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;3*1-3-4-2;/h2-5,10H,6-8H2,(H,17,18);3*1,3-4H2,2H3;.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid has a molecular weight of 536.30 g/mol, XLogP of 4.89, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-3-(4-tributylstannylphenyl)propanoic acid is sourced from PubChem (CID 19967726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).