3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid

C19H20FNO5 — CID 45431827

IUPAC3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
SMILESCCOc1ccc(OCC(=O)NC(CC(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO5/c1-2-25-15-7-9-16(10-8-15)26-12-18(22)21-17(11-19(23)24)13-3-5-14(20)6-4-13/h3-10,17H,2,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyOMZXRAYHGCLFDZ-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.94
Rot. Bonds9

About 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid

3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 45431827) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
PubChem CID45431827
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
SMILESCCOc1ccc(OCC(=O)NC(CC(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO5/c1-2-25-15-7-9-16(10-8-15)26-12-18(22)21-17(11-19(23)24)13-3-5-14(20)6-4-13/h3-10,17H,2,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyOMZXRAYHGCLFDZ-UHFFFAOYSA-N
XLogP2.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3938884
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
(3S)-3-(4-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoic acid
CID 7045114
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721
3-(4-fluorophenyl)-3-[4-(4-methoxyphenoxy)butanoylamino]propanoic acid
CID 45432084
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
(3R)-3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7062318
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid (CID 45431827) is 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid is CCOc1ccc(OCC(=O)NC(CC(=O)O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is OMZXRAYHGCLFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-2-25-15-7-9-16(10-8-15)26-12-18(22)21-17(11-19(23)24)13-3-5-14(20)6-4-13/h3-10,17H,2,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid?
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 361.37 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 45431827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).