2-(1H-imidazol-2-ylmethoxy)acetic acid

C6H8N2O3 — CID 19766370

IUPAC2-(1H-imidazol-2-ylmethoxy)acetic acid
SMILESO=C(O)COCc1ncc[nH]1
InChIInChI=1S/C6H8N2O3/c9-6(10)4-11-3-5-7-1-2-8-5/h1-2H,3-4H2,(H,7,8)(H,9,10)
InChIKeyCTZRHKXNNFRDOG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.01
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethoxy)acetic acid

2-(1H-imidazol-2-ylmethoxy)acetic acid (PubChem CID 19766370) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethoxy)acetic acid
PubChem CID19766370
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(1H-imidazol-2-ylmethoxy)acetic acid
SMILESO=C(O)COCc1ncc[nH]1
InChIInChI=1S/C6H8N2O3/c9-6(10)4-11-3-5-7-1-2-8-5/h1-2H,3-4H2,(H,7,8)(H,9,10)
InChIKeyCTZRHKXNNFRDOG-UHFFFAOYSA-N
XLogP0.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-2-ylmethyl carbamate
CID 23172617
1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
CID 54274629
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
3-(1H-imidazol-2-yl)propanoic acid;dihydrochloride
CID 70511103
2-methoxyacetic acid;2-prop-2-enyl-1H-imidazole
CID 174905493
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2-(nonoxymethyl)-1H-imidazole
CID 131844206
2-aminoacetic acid;2-prop-2-enyl-1H-imidazole
CID 174908896
2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
CID 82407276
1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
CID 175971340
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethoxy)acetic acid?
The IUPAC name of 2-(1H-imidazol-2-ylmethoxy)acetic acid (CID 19766370) is 2-(1H-imidazol-2-ylmethoxy)acetic acid.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethoxy)acetic acid?
The canonical SMILES for 2-(1H-imidazol-2-ylmethoxy)acetic acid is O=C(O)COCc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethoxy)acetic acid?
The InChIKey is CTZRHKXNNFRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-6(10)4-11-3-5-7-1-2-8-5/h1-2H,3-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-(1H-imidazol-2-ylmethoxy)acetic acid?
2-(1H-imidazol-2-ylmethoxy)acetic acid has a molecular weight of 156.14 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethoxy)acetic acid is sourced from PubChem (CID 19766370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).