sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate

C7H11N2NaO3 — CID 23686064

IUPACsodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate
SMILESCC1(C)NCC(=O)N1CC(=O)[O-].[Na+]
InChIInChI=1S/C7H12N2O3.Na/c1-7(2)8-3-5(10)9(7)4-6(11)12;/h8H,3-4H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyCJIXHQXDZCXSIR-UHFFFAOYSA-M
MW194.17 g/mol
LogP-5.09
Rot. Bonds2

About sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate

sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate (PubChem CID 23686064) has the molecular formula C7H11N2NaO3 and a molecular weight of 194.17 g/mol. Its IUPAC name is sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate
PubChem CID23686064
Molecular FormulaC7H11N2NaO3
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Namesodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate
SMILESCC1(C)NCC(=O)N1CC(=O)[O-].[Na+]
InChIInChI=1S/C7H12N2O3.Na/c1-7(2)8-3-5(10)9(7)4-6(11)12;/h8H,3-4H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyCJIXHQXDZCXSIR-UHFFFAOYSA-M
XLogP-5.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-5.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxoimidazolidin-1-yl)acetic Acid
CID 1133461
2-[(2R)-2-(aminomethyl)-2-hydroxy-4,5-dioxoimidazolidin-1-yl]acetic acid
CID 131704182
Methyl 2-(2-oxoimidazolidin-1-yl)acetate
CID 84075258
4-Oxoimidazolidine-2-carboxylic acid
CID 23129695
2-(2,5-Dioxoimidazolidin-1-yl)propanoic acid
CID 336133
Methyl imidazolidin-4-one-2-carboxylate
CID 129653833
2,2,3-Trimethylimidazolidin-4-one
CID 130709696
2-(2,2-Dimethyl-5-oxoimidazolidin-1-yl)acetic acid
CID 422897
Dioxoimidazolidine-3-acetate
CID 2512551
Dioxoimidazolidine-1-acetate
CID 7219893
2-(5-Oxo-2-propan-2-ylimidazolidin-1-yl)acetic acid
CID 14618020
2-(2,4-Dioxoimidazolidin-1-yl)propanoic acid
CID 18544585

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate?
The IUPAC name of sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate (CID 23686064) is sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate.
What is the SMILES notation for sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate?
The canonical SMILES for sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate is CC1(C)NCC(=O)N1CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate?
The InChIKey is CJIXHQXDZCXSIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2O3.Na/c1-7(2)8-3-5(10)9(7)4-6(11)12;/h8H,3-4H2,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate?
sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate has a molecular weight of 194.17 g/mol, XLogP of -5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,2-dimethyl-5-oxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 23686064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).