3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid

C15H18N2O2 — CID 82514099

IUPAC3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid
SMILESCC(C)c1cncn1C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-11(2)14-9-16-10-17(14)13(15(18)19)8-12-6-4-3-5-7-12/h3-7,9-11,13H,8H2,1-2H3,(H,18,19)
InChIKeyVXBAYODKSWIKEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.87
Rot. Bonds5

About 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid

3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid (PubChem CID 82514099) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid
PubChem CID82514099
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid
SMILESCC(C)c1cncn1C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-11(2)14-9-16-10-17(14)13(15(18)19)8-12-6-4-3-5-7-12/h3-7,9-11,13H,8H2,1-2H3,(H,18,19)
InChIKeyVXBAYODKSWIKEP-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
2-(5-oxo-1H-1,2,4-triazol-4-yl)-3-phenylpropanoic acid
CID 107410215
3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid
CID 82514089
2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
CID 82514410
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
3-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054892
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
1-[(1S)-1-carboxy-2-phenylethyl]-6-oxopyridine-3-carboxylic acid
CID 110087818
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid?
The IUPAC name of 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid (CID 82514099) is 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid is CC(C)c1cncn1C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid?
The InChIKey is VXBAYODKSWIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)14-9-16-10-17(14)13(15(18)19)8-12-6-4-3-5-7-12/h3-7,9-11,13H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid?
3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82514099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).