2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride

C8H13ClN2O2 — CID 134690753

IUPAC2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride
SMILESCc1cn(C(C)(C)C(=O)O)cn1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-6-4-10(5-9-6)8(2,3)7(11)12;/h4-5H,1-3H3,(H,11,12);1H
InChIKeyZNJITIXLSPZWKM-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.43
Rot. Bonds2

About 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride

2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride (PubChem CID 134690753) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride
PubChem CID134690753
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride
SMILESCc1cn(C(C)(C)C(=O)O)cn1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-6-4-10(5-9-6)8(2,3)7(11)12;/h4-5H,1-3H3,(H,11,12);1H
InChIKeyZNJITIXLSPZWKM-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride (CID 134690753) is 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride is Cc1cn(C(C)(C)C(=O)O)cn1.Cl.
What is the InChIKey of 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is ZNJITIXLSPZWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-6-4-10(5-9-6)8(2,3)7(11)12;/h4-5H,1-3H3,(H,11,12);1H.
What are the key properties of 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride?
2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylimidazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 134690753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).