2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid

C11H16N2O2 — CID 116878954

IUPAC2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(C2CC2C(=O)O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)8-5-12-9(13-8)6-4-7(6)10(14)15/h5-7H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWMMOHLHWPCQGPG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.90
Rot. Bonds2

About 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid

2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116878954) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116878954
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(C2CC2C(=O)O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)8-5-12-9(13-8)6-4-7(6)10(14)15/h5-7H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWMMOHLHWPCQGPG-UHFFFAOYSA-N
XLogP1.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878956
2-(5-phenyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878958
trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377670
2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
CID 123810509
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79795345
5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392952
2-(2-methoxy-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130590503
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
CID 165405571
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 81137693
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid (CID 116878954) is 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid is CC(C)(C)c1cnc(C2CC2C(=O)O)[nH]1.
What is the InChIKey of 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is WMMOHLHWPCQGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)8-5-12-9(13-8)6-4-7(6)10(14)15/h5-7H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116878954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).