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

C15H18N2O3 — CID 104572875

IUPAC2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid
SMILESCCn1ccnc1C(Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-3-17-9-8-16-14(17)12(15(18)19)10-11-6-4-5-7-13(11)20-2/h4-9,12H,3,10H2,1-2H3,(H,18,19)
InChIKeyABYIUTJHRWPPKX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.32
Rot. Bonds6

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

2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 104572875) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid
PubChem CID104572875
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid
SMILESCCn1ccnc1C(Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-3-17-9-8-16-14(17)12(15(18)19)10-11-6-4-5-7-13(11)20-2/h4-9,12H,3,10H2,1-2H3,(H,18,19)
InChIKeyABYIUTJHRWPPKX-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 63970215
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572862
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 29063574

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid (CID 104572875) is 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid is CCn1ccnc1C(Cc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is ABYIUTJHRWPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17-9-8-16-14(17)12(15(18)19)10-11-6-4-5-7-13(11)20-2/h4-9,12H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid?
2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 104572875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).