2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole

C9H14N2O3 — CID 174905493

IUPAC2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.COCC(=O)O
InChIInChI=1S/C6H8N2.C3H6O3/c1-2-3-6-7-4-5-8-6;1-6-2-3(4)5/h2,4-5H,1,3H2,(H,7,8);2H2,1H3,(H,4,5)
InChIKeyKQRAWNXNOWPKDO-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.86
Rot. Bonds4

About 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole

2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole (PubChem CID 174905493) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole
PubChem CID174905493
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.COCC(=O)O
InChIInChI=1S/C6H8N2.C3H6O3/c1-2-3-6-7-4-5-8-6;1-6-2-3(4)5/h2,4-5H,1,3H2,(H,7,8);2H2,1H3,(H,4,5)
InChIKeyKQRAWNXNOWPKDO-UHFFFAOYSA-N
XLogP0.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole?
The IUPAC name of 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole (CID 174905493) is 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole is C=CCc1ncc[nH]1.COCC(=O)O.
What is the InChIKey of 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole?
The InChIKey is KQRAWNXNOWPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C3H6O3/c1-2-3-6-7-4-5-8-6;1-6-2-3(4)5/h2,4-5H,1,3H2,(H,7,8);2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole?
2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole has a molecular weight of 198.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 174905493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).