methyl 2-imidazol-1-ylacetate

C6H8N2O2 — CID 557332

IUPACmethyl 2-imidazol-1-ylacetate
SMILESCOC(=O)Cn1ccnc1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChIKeyMENQOXBTQWXPJA-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.06
Rot. Bonds2

About methyl 2-imidazol-1-ylacetate

methyl 2-imidazol-1-ylacetate (PubChem CID 557332) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl 2-imidazol-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-imidazol-1-ylacetate
PubChem CID557332
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl 2-imidazol-1-ylacetate
SMILESCOC(=O)Cn1ccnc1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChIKeyMENQOXBTQWXPJA-UHFFFAOYSA-N
XLogP0.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazole-1-acetic acid
CID 656129
1-methyl-1H-imidazole-2-carboxylic acid
CID 557678
1-Ethyl-3-methylimidazolium acetate
CID 11658353
Methyl 2-nitroimidazole-1-acetate
CID 89851
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
1-Propylimidazole-2-carboxylic acid
CID 64137870
methyl (2-methyl-4-nitro-1H-imidazol-1-yl)acetate
CID 777925
ethyl 1-methyl-1H-imidazole-2-carboxylate
CID 4261883
2-(1H-imidazol-3-ium-3-yl)acetate
CID 71771693
1-isopropyl-1H-imidazole-2-carboxylic acid
CID 55252644

Frequently Asked Questions

What is the IUPAC name of methyl 2-imidazol-1-ylacetate?
The IUPAC name of methyl 2-imidazol-1-ylacetate (CID 557332) is methyl 2-imidazol-1-ylacetate.
What is the SMILES notation for methyl 2-imidazol-1-ylacetate?
The canonical SMILES for methyl 2-imidazol-1-ylacetate is COC(=O)Cn1ccnc1.
What is the InChIKey of methyl 2-imidazol-1-ylacetate?
The InChIKey is MENQOXBTQWXPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-imidazol-1-ylacetate?
methyl 2-imidazol-1-ylacetate has a molecular weight of 140.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imidazol-1-ylacetate is sourced from PubChem (CID 557332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).