2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride

C7H11ClN2O2 — CID 43810772

IUPAC2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride
SMILESCCc1nccn1CC(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-2-6-8-3-4-9(6)5-7(10)11;/h3-4H,2,5H2,1H3,(H,10,11);1H
InChIKeyJAFYQPZZZHKAAO-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.95
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride

2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride (PubChem CID 43810772) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride
PubChem CID43810772
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride
SMILESCCc1nccn1CC(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-2-6-8-3-4-9(6)5-7(10)11;/h3-4H,2,5H2,1H3,(H,10,11);1H
InChIKeyJAFYQPZZZHKAAO-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride (CID 43810772) is 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride is CCc1nccn1CC(=O)O.Cl.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride?
The InChIKey is JAFYQPZZZHKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-2-6-8-3-4-9(6)5-7(10)11;/h3-4H,2,5H2,1H3,(H,10,11);1H.
What are the key properties of 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride?
2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 43810772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).