ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate

C14H19NO5 — CID 67247191

IUPACethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
SMILESCCOC(=O)COc1cc(O)c(C(=O)CN)cc1CC
InChIInChI=1S/C14H19NO5/c1-3-9-5-10(12(17)7-15)11(16)6-13(9)20-8-14(18)19-4-2/h5-6,16H,3-4,7-8,15H2,1-2H3
InChIKeyMCEJOKBZYDFIFL-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.04
Rot. Bonds7

About ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate

ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate (PubChem CID 67247191) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
PubChem CID67247191
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
SMILESCCOC(=O)COc1cc(O)c(C(=O)CN)cc1CC
InChIInChI=1S/C14H19NO5/c1-3-9-5-10(12(17)7-15)11(16)6-13(9)20-8-14(18)19-4-2/h5-6,16H,3-4,7-8,15H2,1-2H3
InChIKeyMCEJOKBZYDFIFL-UHFFFAOYSA-N
XLogP1.04
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(2-bromoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
CID 86044059
ethyl 2-[4-(2-aminoacetyl)-2-ethyl-3-hydroxyphenoxy]acetate
CID 67247334
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate
CID 67246039
2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
CID 23356773
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-(2-aminoacetyl)-2,6-bis(ethylsulfanyl)phenoxy]acetate
CID 67247425
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
CID 171033647
ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate
CID 86058897
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate (CID 67247191) is ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate is CCOC(=O)COc1cc(O)c(C(=O)CN)cc1CC.
What is the InChIKey of ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate?
The InChIKey is MCEJOKBZYDFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-9-5-10(12(17)7-15)11(16)6-13(9)20-8-14(18)19-4-2/h5-6,16H,3-4,7-8,15H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate?
ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate has a molecular weight of 281.31 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-aminoacetyl)-2-ethyl-5-hydroxyphenoxy]acetate is sourced from PubChem (CID 67247191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).