disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate

C10H11NNa2O6 — CID 10266048

IUPACdisodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate
SMILESO=C([O-])CC(CCN1C(=O)CCC1=O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H13NO6.2Na/c12-7-1-2-8(13)11(7)4-3-6(10(16)17)5-9(14)15;;/h6H,1-5H2,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyLRBPAWONMLIAPM-UHFFFAOYSA-L
MW287.18 g/mol
LogP-8.96
Rot. Bonds6

About disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate

disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate (PubChem CID 10266048) has the molecular formula C10H11NNa2O6 and a molecular weight of 287.18 g/mol. Its IUPAC name is disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate.

Molecular Properties

Compound Namedisodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate
PubChem CID10266048
Molecular FormulaC10H11NNa2O6
Molecular Weight287.18 g/mol
Exact Mass287.04
IUPAC Namedisodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate
SMILESO=C([O-])CC(CCN1C(=O)CCC1=O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H13NO6.2Na/c12-7-1-2-8(13)11(7)4-3-6(10(16)17)5-9(14)15;;/h6H,1-5H2,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyLRBPAWONMLIAPM-UHFFFAOYSA-L
XLogP-8.96
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 5-8.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-butane-1,2,4-tricarboxylate
CID 7000096
(2R)-butane-1,2,4-tricarboxylate
CID 6992751
gallium propane-1,2,3-tricarboxylate
CID 175397549
azane;2-(3-piperidin-1-ylpropyl)butanedioate;platinum(2+)
CID 71543850
tetrasodium;butane-1,2,4-tricarboxylate;dihydrogen phosphate
CID 141455470
(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate
CID 7039487
sodium;cyclohexane-1,4-dione;acetate
CID 175584436
1-[6,6-bis(sulfanyl)hexyl]pyrrolidine-2,5-dione
CID 87475138
1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione
CID 155797107
4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide
CID 63041647
1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 106671986
4-(2,5-dioxopyrrolidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63029343

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate?
The IUPAC name of disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate (CID 10266048) is disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate.
What is the SMILES notation for disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate?
The canonical SMILES for disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate is O=C([O-])CC(CCN1C(=O)CCC1=O)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate?
The InChIKey is LRBPAWONMLIAPM-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13NO6.2Na/c12-7-1-2-8(13)11(7)4-3-6(10(16)17)5-9(14)15;;/h6H,1-5H2,(H,14,15)(H,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate?
disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate has a molecular weight of 287.18 g/mol, XLogP of -8.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate is sourced from PubChem (CID 10266048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).