3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid

C14H16N2O3 — CID 116834155

IUPAC3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
SMILESCOc1cccc(C(CC(=O)O)c2cnc(C)[nH]2)c1
InChIInChI=1S/C14H16N2O3/c1-9-15-8-13(16-9)12(7-14(17)18)10-4-3-5-11(6-10)19-2/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZGXMHSCVJRXFQX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.33
Rot. Bonds5

About 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid

3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid (PubChem CID 116834155) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
PubChem CID116834155
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
SMILESCOc1cccc(C(CC(=O)O)c2cnc(C)[nH]2)c1
InChIInChI=1S/C14H16N2O3/c1-9-15-8-13(16-9)12(7-14(17)18)10-4-3-5-11(6-10)19-2/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZGXMHSCVJRXFQX-UHFFFAOYSA-N
XLogP2.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82484426
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
CID 24826621
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112511466
(3S)-3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylpropanamide
CID 7332110
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid (CID 116834155) is 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid is COc1cccc(C(CC(=O)O)c2cnc(C)[nH]2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
The InChIKey is ZGXMHSCVJRXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-15-8-13(16-9)12(7-14(17)18)10-4-3-5-11(6-10)19-2/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-(2-methyl-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 116834155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).