2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride

C6H9ClN2O3 — CID 86813184

IUPAC2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
SMILESCl.Cn1cncc1C(O)C(=O)O
InChIInChI=1S/C6H8N2O3.ClH/c1-8-3-7-2-4(8)5(9)6(10)11;/h2-3,5,9H,1H3,(H,10,11);1H
InChIKeyLBUDHTLDIAKEAJ-UHFFFAOYSA-N
MW192.60 g/mol
LogP-0.04
Rot. Bonds2

About 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride

2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride (PubChem CID 86813184) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
PubChem CID86813184
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
SMILESCl.Cn1cncc1C(O)C(=O)O
InChIInChI=1S/C6H8N2O3.ClH/c1-8-3-7-2-4(8)5(9)6(10)11;/h2-3,5,9H,1H3,(H,10,11);1H
InChIKeyLBUDHTLDIAKEAJ-UHFFFAOYSA-N
XLogP-0.04
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methyl-4-(3-methylimidazol-4-yl)butanoic acid
CID 66117662
ethyl 3-hydroxy-3-(3-methylimidazol-4-yl)propanoate
CID 66118831
N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
CID 170829461
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
2-(4-methylanilino)-2-(3-methylimidazol-4-yl)acetic acid
CID 66119421
2-(dimethylamino)-N-methyl-2-(3-methylimidazol-4-yl)acetamide
CID 146125345
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
cyclopentyl-(3-methylimidazol-4-yl)methanol
CID 66118415

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride (CID 86813184) is 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride is Cl.Cn1cncc1C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride?
The InChIKey is LBUDHTLDIAKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-8-3-7-2-4(8)5(9)6(10)11;/h2-3,5,9H,1H3,(H,10,11);1H.
What are the key properties of 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride?
2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 86813184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).