2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole

C10H20N2O4 — CID 174750022

IUPAC2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole
SMILESCOCC(=O)O.COCCN1C=CN(C)C1
InChIInChI=1S/C7H14N2O.C3H6O3/c1-8-3-4-9(7-8)5-6-10-2;1-6-2-3(4)5/h3-4H,5-7H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyJUYNMOSHHLJLIU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.03
Rot. Bonds5

About 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole

2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole (PubChem CID 174750022) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole
PubChem CID174750022
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole
SMILESCOCC(=O)O.COCCN1C=CN(C)C1
InChIInChI=1S/C7H14N2O.C3H6O3/c1-8-3-4-9(7-8)5-6-10-2;1-6-2-3(4)5/h3-4H,5-7H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyJUYNMOSHHLJLIU-UHFFFAOYSA-N
XLogP0.03
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole?
The IUPAC name of 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole (CID 174750022) is 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole?
The canonical SMILES for 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole is COCC(=O)O.COCCN1C=CN(C)C1.
What is the InChIKey of 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole?
The InChIKey is JUYNMOSHHLJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C3H6O3/c1-8-3-4-9(7-8)5-6-10-2;1-6-2-3(4)5/h3-4H,5-7H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole?
2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole has a molecular weight of 232.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 174750022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).