methane;2-(5-methylimidazol-1-yl)acetic acid

C7H12N2O2 — CID 159313681

IUPACmethane;2-(5-methylimidazol-1-yl)acetic acid
SMILESC.Cc1cncn1CC(=O)O
InChIInChI=1S/C6H8N2O2.CH4/c1-5-2-7-4-8(5)3-6(9)10;/h2,4H,3H2,1H3,(H,9,10);1H4
InChIKeyLCWCBQKUTIAPQH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.91
Rot. Bonds2

About methane;2-(5-methylimidazol-1-yl)acetic acid

methane;2-(5-methylimidazol-1-yl)acetic acid (PubChem CID 159313681) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is methane;2-(5-methylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Namemethane;2-(5-methylimidazol-1-yl)acetic acid
PubChem CID159313681
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Namemethane;2-(5-methylimidazol-1-yl)acetic acid
SMILESC.Cc1cncn1CC(=O)O
InChIInChI=1S/C6H8N2O2.CH4/c1-5-2-7-4-8(5)3-6(9)10;/h2,4H,3H2,1H3,(H,9,10);1H4
InChIKeyLCWCBQKUTIAPQH-UHFFFAOYSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-hydroxyimidazol-1-yl)acetic acid
CID 68719528
benzyl 2-(5-methylimidazol-1-yl)acetate
CID 118639372
1-ethyl-5-methylimidazole;hydrobromide
CID 175481904
5-methyl-1-prop-2-enylimidazole;hydroiodide
CID 174273806
2-(5-methylimidazol-1-yl)ethyl acetate
CID 154705387
1-(methoxymethyl)-5-methylimidazole
CID 146432143
ethane;5-methyl-1-propylimidazole
CID 143939633
4-[2-(5-methylimidazol-1-yl)ethoxy]benzoic acid
CID 82513648
3-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82512164
N-[3-(5-methylimidazol-1-yl)propyl]-2-phenylacetamide
CID 18722753
5-methyl-1-(3-methylbutyl)imidazole
CID 58133948
2-(6-methylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061378

Frequently Asked Questions

What is the IUPAC name of methane;2-(5-methylimidazol-1-yl)acetic acid?
The IUPAC name of methane;2-(5-methylimidazol-1-yl)acetic acid (CID 159313681) is methane;2-(5-methylimidazol-1-yl)acetic acid.
What is the SMILES notation for methane;2-(5-methylimidazol-1-yl)acetic acid?
The canonical SMILES for methane;2-(5-methylimidazol-1-yl)acetic acid is C.Cc1cncn1CC(=O)O.
What is the InChIKey of methane;2-(5-methylimidazol-1-yl)acetic acid?
The InChIKey is LCWCBQKUTIAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.CH4/c1-5-2-7-4-8(5)3-6(9)10;/h2,4H,3H2,1H3,(H,9,10);1H4.
What are the key properties of methane;2-(5-methylimidazol-1-yl)acetic acid?
methane;2-(5-methylimidazol-1-yl)acetic acid has a molecular weight of 156.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(5-methylimidazol-1-yl)acetic acid is sourced from PubChem (CID 159313681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).