3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid

C14H16N2O3 — CID 82484426

IUPAC3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
SMILESCOc1cccc(C(CC(=O)O)c2nccn2C)c1
InChIInChI=1S/C14H16N2O3/c1-16-7-6-15-14(16)12(9-13(17)18)10-4-3-5-11(8-10)19-2/h3-8,12H,9H2,1-2H3,(H,17,18)
InChIKeyQWZVLZDNUCCXMR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.04
Rot. Bonds5

About 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid

3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid (PubChem CID 82484426) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
PubChem CID82484426
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
SMILESCOc1cccc(C(CC(=O)O)c2nccn2C)c1
InChIInChI=1S/C14H16N2O3/c1-16-7-6-15-14(16)12(9-13(17)18)10-4-3-5-11(8-10)19-2/h3-8,12H,9H2,1-2H3,(H,17,18)
InChIKeyQWZVLZDNUCCXMR-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
3-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 116834204
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
CID 47044298
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid (CID 82484426) is 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid is COc1cccc(C(CC(=O)O)c2nccn2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid?
The InChIKey is QWZVLZDNUCCXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-7-6-15-14(16)12(9-13(17)18)10-4-3-5-11(8-10)19-2/h3-8,12H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid?
3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid is sourced from PubChem (CID 82484426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).