3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride

C7H11ClN2O2 — CID 6602998

IUPAC3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride
SMILESCc1nccn1CCC(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-6-8-3-5-9(6)4-2-7(10)11;/h3,5H,2,4H2,1H3,(H,10,11);1H
InChIKeyDWFGKOZPPTVIJT-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.09
Rot. Bonds3

About 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride

3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride (PubChem CID 6602998) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride
PubChem CID6602998
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride
SMILESCc1nccn1CCC(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-6-8-3-5-9(6)4-2-7(10)11;/h3,5H,2,4H2,1H3,(H,10,11);1H
InChIKeyDWFGKOZPPTVIJT-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride (CID 6602998) is 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride is Cc1nccn1CCC(=O)O.Cl.
What is the InChIKey of 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is DWFGKOZPPTVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-6-8-3-5-9(6)4-2-7(10)11;/h3,5H,2,4H2,1H3,(H,10,11);1H.
What are the key properties of 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride?
3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 6602998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).