2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid

C14H16N2O3 — CID 63075138

IUPAC2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
SMILESCCOC(Cn1ccnc1-c1ccccc1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-19-12(14(17)18)10-16-9-8-15-13(16)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,17,18)
InChIKeyKATRLBRKNFGYCD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.04
Rot. Bonds6

About 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid

2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid (PubChem CID 63075138) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
PubChem CID63075138
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
SMILESCCOC(Cn1ccnc1-c1ccccc1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-19-12(14(17)18)10-16-9-8-15-13(16)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,17,18)
InChIKeyKATRLBRKNFGYCD-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid (CID 63075138) is 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid is CCOC(Cn1ccnc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid?
The InChIKey is KATRLBRKNFGYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-12(14(17)18)10-16-9-8-15-13(16)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,17,18).
What are the key properties of 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid?
2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid is sourced from PubChem (CID 63075138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).