3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid

C15H18N2O2 — CID 82514089

IUPAC3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid
SMILESCC(C)c1cn(C(Cc2ccccc2)C(=O)O)cn1
InChIInChI=1S/C15H18N2O2/c1-11(2)13-9-17(10-16-13)14(15(18)19)8-12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,18,19)
InChIKeyZTYZYTCVDUWAFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.87
Rot. Bonds5

About 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid

3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid (PubChem CID 82514089) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid
PubChem CID82514089
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid
SMILESCC(C)c1cn(C(Cc2ccccc2)C(=O)O)cn1
InChIInChI=1S/C15H18N2O2/c1-11(2)13-9-17(10-16-13)14(15(18)19)8-12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,18,19)
InChIKeyZTYZYTCVDUWAFU-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

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2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
CID 82514410
2-(5-oxo-1H-1,2,4-triazol-4-yl)-3-phenylpropanoic acid
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3-phenyl-2-pyrrol-1-ylpropanehydrazide
CID 11842321
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647
2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
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1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111102752

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid?
The IUPAC name of 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid (CID 82514089) is 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid is CC(C)c1cn(C(Cc2ccccc2)C(=O)O)cn1.
What is the InChIKey of 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid?
The InChIKey is ZTYZYTCVDUWAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)13-9-17(10-16-13)14(15(18)19)8-12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid?
3-phenyl-2-(4-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-(4-propan-2-ylimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82514089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).