methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate

C14H19NO4 — CID 60637022

IUPACmethyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
SMILESCCc1cccc(OCC(=O)NCCC(=O)OC)c1
InChIInChI=1S/C14H19NO4/c1-3-11-5-4-6-12(9-11)19-10-13(16)15-8-7-14(17)18-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyOUDXUBUPXPUIBW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.31
Rot. Bonds7

About methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate

methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate (PubChem CID 60637022) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
PubChem CID60637022
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
SMILESCCc1cccc(OCC(=O)NCCC(=O)OC)c1
InChIInChI=1S/C14H19NO4/c1-3-11-5-4-6-12(9-11)19-10-13(16)15-8-7-14(17)18-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyOUDXUBUPXPUIBW-UHFFFAOYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103152454
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate (CID 60637022) is methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate is CCc1cccc(OCC(=O)NCCC(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate?
The InChIKey is OUDXUBUPXPUIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-11-5-4-6-12(9-11)19-10-13(16)15-8-7-14(17)18-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate?
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 60637022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).