cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid

C10H14N2O2 — CID 95008036

IUPACcis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1n1ccnc1
InChIInChI=1S/C10H14N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h5-9H,1-4H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyJAPIAPRYKDJVJZ-BDAKNGLRSA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds2

About cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid

cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid (PubChem CID 95008036) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid
PubChem CID95008036
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namecis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1n1ccnc1
InChIInChI=1S/C10H14N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h5-9H,1-4H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyJAPIAPRYKDJVJZ-BDAKNGLRSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid (CID 95008036) is cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@@H]1n1ccnc1.
What is the InChIKey of cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is JAPIAPRYKDJVJZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)8-3-1-2-4-9(8)12-6-5-11-7-12/h5-9H,1-4H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-imidazol-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 95008036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).