sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate

C7H12N2NaO4+ — CID 59866608

IUPACsodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate
SMILESO=C([O-])C[N+]1(CCO)CCNC1=O.[Na+]
InChIInChI=1S/C7H12N2O4.Na/c10-4-3-9(5-6(11)12)2-1-8-7(9)13;/h10H,1-5H2,(H-,8,11,12,13);/q;+1
InChIKeyDHPXZYOLQLOKQQ-UHFFFAOYSA-N
MW211.17 g/mol
LogP-5.73
Rot. Bonds4

About sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate

sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate (PubChem CID 59866608) has the molecular formula C7H12N2NaO4+ and a molecular weight of 211.17 g/mol. Its IUPAC name is sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate.

Molecular Properties

Compound Namesodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate
PubChem CID59866608
Molecular FormulaC7H12N2NaO4+
Molecular Weight211.17 g/mol
Exact Mass211.07
IUPAC Namesodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate
SMILESO=C([O-])C[N+]1(CCO)CCNC1=O.[Na+]
InChIInChI=1S/C7H12N2O4.Na/c10-4-3-9(5-6(11)12)2-1-8-7(9)13;/h10H,1-5H2,(H-,8,11,12,13);/q;+1
InChIKeyDHPXZYOLQLOKQQ-UHFFFAOYSA-N
XLogP-5.73
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-5.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate?
The IUPAC name of sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate (CID 59866608) is sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate.
What is the SMILES notation for sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate?
The canonical SMILES for sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate is O=C([O-])C[N+]1(CCO)CCNC1=O.[Na+].
What is the InChIKey of sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate?
The InChIKey is DHPXZYOLQLOKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4.Na/c10-4-3-9(5-6(11)12)2-1-8-7(9)13;/h10H,1-5H2,(H-,8,11,12,13);/q;+1.
What are the key properties of sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate?
sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate has a molecular weight of 211.17 g/mol, XLogP of -5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[1-(2-hydroxyethyl)-2-oxoimidazolidin-1-ium-1-yl]acetate is sourced from PubChem (CID 59866608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).