3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid

C13H14N2O2 — CID 82288832

IUPAC3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
SMILESCc1nc(CCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10-14-11(7-8-13(16)17)9-15(10)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyIHVFEFKUYINKBP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.20
Rot. Bonds4

About 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid

3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid (PubChem CID 82288832) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
PubChem CID82288832
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
SMILESCc1nc(CCC(=O)O)cn1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10-14-11(7-8-13(16)17)9-15(10)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyIHVFEFKUYINKBP-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid (CID 82288832) is 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid is Cc1nc(CCC(=O)O)cn1-c1ccccc1.
What is the InChIKey of 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid?
The InChIKey is IHVFEFKUYINKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-14-11(7-8-13(16)17)9-15(10)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid?
3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 82288832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).