2-(1-cyclopentylimidazol-4-yl)propanoic acid

C11H16N2O2 — CID 83883845

IUPAC2-(1-cyclopentylimidazol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cn(C2CCCC2)cn1
InChIInChI=1S/C11H16N2O2/c1-8(11(14)15)10-6-13(7-12-10)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyWHNVPWMPIFPFOE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds3

About 2-(1-cyclopentylimidazol-4-yl)propanoic acid

2-(1-cyclopentylimidazol-4-yl)propanoic acid (PubChem CID 83883845) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-cyclopentylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclopentylimidazol-4-yl)propanoic acid
PubChem CID83883845
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-cyclopentylimidazol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cn(C2CCCC2)cn1
InChIInChI=1S/C11H16N2O2/c1-8(11(14)15)10-6-13(7-12-10)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,14,15)
InChIKeyWHNVPWMPIFPFOE-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylimidazol-4-yl)propanoic acid?
The IUPAC name of 2-(1-cyclopentylimidazol-4-yl)propanoic acid (CID 83883845) is 2-(1-cyclopentylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyclopentylimidazol-4-yl)propanoic acid?
The canonical SMILES for 2-(1-cyclopentylimidazol-4-yl)propanoic acid is CC(C(=O)O)c1cn(C2CCCC2)cn1.
What is the InChIKey of 2-(1-cyclopentylimidazol-4-yl)propanoic acid?
The InChIKey is WHNVPWMPIFPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(11(14)15)10-6-13(7-12-10)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(1-cyclopentylimidazol-4-yl)propanoic acid?
2-(1-cyclopentylimidazol-4-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 83883845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).