3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid

C12H18N2O2 — CID 3002274

IUPAC3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)CCc1cnc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H18N2O2/c15-11(16)7-6-10-8-13-12(14-10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,14)(H,15,16)
InChIKeyAUHUBQJEKLOUDC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.47
Rot. Bonds4

About 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid

3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid (PubChem CID 3002274) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid
PubChem CID3002274
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)CCc1cnc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H18N2O2/c15-11(16)7-6-10-8-13-12(14-10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,14)(H,15,16)
InChIKeyAUHUBQJEKLOUDC-UHFFFAOYSA-N
XLogP2.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid (CID 3002274) is 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid is O=C(O)CCc1cnc(C2CCCCC2)[nH]1.
What is the InChIKey of 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid?
The InChIKey is AUHUBQJEKLOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11(16)7-6-10-8-13-12(14-10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid?
3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 3002274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).