ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate

C14H19NO4S — CID 67246039

IUPACethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CN)cc1SCC
InChIInChI=1S/C14H19NO4S/c1-3-18-14(17)9-19-12-6-5-10(11(16)8-15)7-13(12)20-4-2/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyVZHOHRKVEXSVOU-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate

ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate (PubChem CID 67246039) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate
PubChem CID67246039
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)CN)cc1SCC
InChIInChI=1S/C14H19NO4S/c1-3-18-14(17)9-19-12-6-5-10(11(16)8-15)7-13(12)20-4-2/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyVZHOHRKVEXSVOU-UHFFFAOYSA-N
XLogP1.88
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone
CID 117330394
[4-[2-(Tert-butylamino)acetyl]-2-methylsulfanylphenyl] acetate
CID 13052368
[4-[2-[4-(4-Methoxyphenyl)butan-2-ylamino]acetyl]-2-methylsulfanylphenyl] acetate;hydrochloride
CID 13372389
1-[4-(2-Ethoxyethoxy)-3-methylsulfanylphenyl]ethanone
CID 13372493
[4-[2-[1-(4-Methoxyphenyl)propan-2-ylamino]acetyl]-2-methylsulfanylphenyl] acetate;hydrochloride
CID 13961062
Methyl 2-[4-[2-amino-2-(4-cyanophenyl)sulfonylacetyl]phenoxy]acetate
CID 20083704
[4-[2-[3-(4-Methoxyphenyl)propylamino]acetyl]-2-methylsulfanylphenyl] acetate;hydrochloride
CID 20135594
1-[4-(2-Ethoxyethoxy)-3-methylsulfanylphenyl]-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone;hydrobromide
CID 20135613
1-[4-(2-Ethoxyethoxy)-3-methylsulfanylphenyl]-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanone
CID 20135614
[4-[2-[4-(4-Methoxyphenyl)butan-2-ylamino]acetyl]-2-methylsulfanylphenyl] acetate;hydrobromide
CID 20185316
Methyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 20216121
Methyl 4-(aminoacetyl)phenoxyacetate hydrochloride
CID 20315552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate (CID 67246039) is ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate is CCOC(=O)COc1ccc(C(=O)CN)cc1SCC.
What is the InChIKey of ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate?
The InChIKey is VZHOHRKVEXSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-18-14(17)9-19-12-6-5-10(11(16)8-15)7-13(12)20-4-2/h5-7H,3-4,8-9,15H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate?
ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate has a molecular weight of 297.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate is sourced from PubChem (CID 67246039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).