(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate

C13H17NO4 — CID 7523952

IUPAC(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(N)=O
InChIInChI=1S/C13H17NO4/c1-2-17-11-6-4-3-5-10(11)7-8-13(16)18-9-12(14)15/h3-6H,2,7-9H2,1H3,(H2,14,15)
InChIKeyUYLHUMKQAVEFKY-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.05
Rot. Bonds7

About (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate

(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate (PubChem CID 7523952) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
PubChem CID7523952
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(N)=O
InChIInChI=1S/C13H17NO4/c1-2-17-11-6-4-3-5-10(11)7-8-13(16)18-9-12(14)15/h3-6H,2,7-9H2,1H3,(H2,14,15)
InChIKeyUYLHUMKQAVEFKY-UHFFFAOYSA-N
XLogP1.05
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
(1,3-dioxoisoindol-2-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524606
ethyl 4-[2-[3-(2-ethoxyphenyl)propanoyloxy]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7524346
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate (CID 7523952) is (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate?
The InChIKey is UYLHUMKQAVEFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-17-11-6-4-3-5-10(11)7-8-13(16)18-9-12(14)15/h3-6H,2,7-9H2,1H3,(H2,14,15).
What are the key properties of (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate?
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7523952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).