1-(1-methylcyclopropyl)imidazole-4-carboxylic acid

C8H10N2O2 — CID 130481843

IUPAC1-(1-methylcyclopropyl)imidazole-4-carboxylic acid
SMILESCC1(n2cnc(C(=O)O)c2)CC1
InChIInChI=1S/C8H10N2O2/c1-8(2-3-8)10-4-6(7(11)12)9-5-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyDQRILONJCCECJN-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.09
Rot. Bonds2

About 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid

1-(1-methylcyclopropyl)imidazole-4-carboxylic acid (PubChem CID 130481843) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)imidazole-4-carboxylic acid
PubChem CID130481843
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(1-methylcyclopropyl)imidazole-4-carboxylic acid
SMILESCC1(n2cnc(C(=O)O)c2)CC1
InChIInChI=1S/C8H10N2O2/c1-8(2-3-8)10-4-6(7(11)12)9-5-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyDQRILONJCCECJN-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid
CID 130481881
[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone
CID 166520663
(4-carboxyimidazol-1-yl)thallium
CID 147472653
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone
CID 167524467
1-(methylaminomethyl)imidazole-4-carboxylic acid
CID 174926083
1-(3,5-dimethylphenyl)imidazole-4-carboxylic acid
CID 62057706
1-(3,6-dimethylpyrazin-2-yl)imidazole-4-carboxylic acid
CID 65418211
1-(1-methylpyrrolidin-3-yl)imidazole-4-carboxylic acid
CID 130481802
1-[2-[(3-methylpiperidine-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500460
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717027
1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid
CID 107495736

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid (CID 130481843) is 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid is CC1(n2cnc(C(=O)O)c2)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid?
The InChIKey is DQRILONJCCECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2-3-8)10-4-6(7(11)12)9-5-10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid?
1-(1-methylcyclopropyl)imidazole-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 130481843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).