sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate

C6H7N2NaO3 — CID 167726332

IUPACsodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate
SMILESCn1ccnc1C(O)C(=O)[O-].[Na+]
InChIInChI=1S/C6H8N2O3.Na/c1-8-3-2-7-5(8)4(9)6(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChIKeyJXCKSMLWMIMYDL-UHFFFAOYSA-M
MW178.12 g/mol
LogP-4.79
Rot. Bonds2

About sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate

sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate (PubChem CID 167726332) has the molecular formula C6H7N2NaO3 and a molecular weight of 178.12 g/mol. Its IUPAC name is sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate.

Molecular Properties

Compound Namesodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate
PubChem CID167726332
Molecular FormulaC6H7N2NaO3
Molecular Weight178.12 g/mol
Exact Mass178.04
IUPAC Namesodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate
SMILESCn1ccnc1C(O)C(=O)[O-].[Na+]
InChIInChI=1S/C6H8N2O3.Na/c1-8-3-2-7-5(8)4(9)6(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChIKeyJXCKSMLWMIMYDL-UHFFFAOYSA-M
XLogP-4.79
TPSA78.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 5-4.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
1-(1-methylimidazol-2-yl)prop-2-en-1-ol
CID 58549926
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
CID 167014806
methyl 3,4-dihydroxy-4-(1-methylimidazol-2-yl)butanoate
CID 171894999
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
CID 115799892
1-methyl-2-pentan-3-ylimidazole
CID 89261277

Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate?
The IUPAC name of sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate (CID 167726332) is sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate.
What is the SMILES notation for sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate?
The canonical SMILES for sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate is Cn1ccnc1C(O)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate?
The InChIKey is JXCKSMLWMIMYDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3.Na/c1-8-3-2-7-5(8)4(9)6(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate?
sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate has a molecular weight of 178.12 g/mol, XLogP of -4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxy-2-(1-methylimidazol-2-yl)acetate is sourced from PubChem (CID 167726332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).