2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid

C15H19NO5 — CID 79269705

IUPAC2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)Oc1ccc(OCC)cc1
InChIInChI=1S/C15H19NO5/c1-3-9-16(10-14(17)18)11-15(19)21-13-7-5-12(6-8-13)20-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,17,18)
InChIKeyPAHCZOUNKWVSOO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.56
Rot. Bonds9

About 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79269705) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79269705
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)Oc1ccc(OCC)cc1
InChIInChI=1S/C15H19NO5/c1-3-9-16(10-14(17)18)11-15(19)21-13-7-5-12(6-8-13)20-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,17,18)
InChIKeyPAHCZOUNKWVSOO-UHFFFAOYSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid
CID 61011460
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276001
2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865
2-[2-(4-fluorophenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277557
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
4-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxybenzoic acid
CID 57159752
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277245
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79269705) is 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)Oc1ccc(OCC)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is PAHCZOUNKWVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-9-16(10-14(17)18)11-15(19)21-13-7-5-12(6-8-13)20-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,17,18).
What are the key properties of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79269705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).