sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate

C45H41N8NaO27S — CID 165073312

IUPACsodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
SMILESO=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.[Na+]
InChIInChI=1S/C12H12N2O9S.C12H12N2O6.C11H10N2O6.C10H8N2O6.Na/c15-8-3-4-9(16)13(8)5-1-2-11(18)23-14-10(17)6-7(12(14)19)24(20,21)22;15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17;13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;/h3-4,7H,1-2,5-6H2,(H,20,21,22);3-4H,1-2,5-7H2;1-2H,3-6H2;1-2H,3-5H2;/q;;;;+1/p-1
InChIKeySROGJVPOMQRFAO-UHFFFAOYSA-M
MW1180.91 g/mol
LogP-8.45
Rot. Bonds18

About sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate

sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate (PubChem CID 165073312) has the molecular formula C45H41N8NaO27S and a molecular weight of 1180.91 g/mol. Its IUPAC name is sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate.

Molecular Properties

Compound Namesodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
PubChem CID165073312
Molecular FormulaC45H41N8NaO27S
Molecular Weight1180.91 g/mol
Exact Mass1180.17
IUPAC Namesodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
SMILESO=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.[Na+]
InChIInChI=1S/C12H12N2O9S.C12H12N2O6.C11H10N2O6.C10H8N2O6.Na/c15-8-3-4-9(16)13(8)5-1-2-11(18)23-14-10(17)6-7(12(14)19)24(20,21)22;15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17;13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;/h3-4,7H,1-2,5-6H2,(H,20,21,22);3-4H,1-2,5-7H2;1-2H,3-6H2;1-2H,3-5H2;/q;;;;+1/p-1
InChIKeySROGJVPOMQRFAO-UHFFFAOYSA-M
XLogP-8.45
TPSA461.44 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.91
LogP ≤ 5-8.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate with MolForge

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Related Compounds

1-[4-(2,5-dioxopyrrolidin-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 58592352
[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2,5-dioxopyrrolidin-1-yl] 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 165024040
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
sodium 1-[12-(2,5-dioxopyrrol-1-yl)-2-oxododecyl]-2,5-dioxopyrrolidine-3-sulfonate
CID 163199615
sodium 2,5-dioxo-1-(3-phenylpropanoyloxy)pyrrolidine-3-sulfonate
CID 102472680
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;4-(2,5-dioxopyrrol-1-yl)-N-methylbutanamide;methanamine;N-methyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 158310714
2,5-dioxo-1-propanoyloxypyrrolidine-3-sulfonate
CID 23591794
sodium 1-octadec-9-enoyloxy-2,5-dioxopyrrolidine-3-sulfonate
CID 53442213
sodium;(2,5-dioxopyrrolidin-1-yl) 4-(4-iodophenyl)butanoate;1-[3-(4-iodophenyl)propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-(4-iodophenyl)butanoate;(2-methylidene-5-oxopyrrolidin-1-yl) 3-(4-iodophenyl)propanoate
CID 158731021
carbanylium;2,5-dioxo-1-(4-oxopentanoyloxy)pyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxopentanoate;(2,3,5,6-tetrafluorophenyl) 4-oxopentanoate
CID 159599244
2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)-4-[1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidin-3-yl]butanoic acid
CID 87839247
sodium 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyloxy)-2,5-dioxopyrrolidine-3-sulfonate
CID 23687360

Frequently Asked Questions

What is the IUPAC name of sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate?
The IUPAC name of sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate (CID 165073312) is sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate.
What is the SMILES notation for sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate?
The canonical SMILES for sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate is O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O.O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.[Na+].
What is the InChIKey of sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate?
The InChIKey is SROGJVPOMQRFAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O9S.C12H12N2O6.C11H10N2O6.C10H8N2O6.Na/c15-8-3-4-9(16)13(8)5-1-2-11(18)23-14-10(17)6-7(12(14)19)24(20,21)22;15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18;14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17;13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;/h3-4,7H,1-2,5-6H2,(H,20,21,22);3-4H,1-2,5-7H2;1-2H,3-6H2;1-2H,3-5H2;/q;;;;+1/p-1.
What are the key properties of sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate?
sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate has a molecular weight of 1180.91 g/mol, XLogP of -8.45, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate is sourced from PubChem (CID 165073312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).