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

C15H21NO4 — CID 79276001

IUPAC2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CCOc1ccc(OCC)cc1)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-3-9-16(12-15(17)18)10-11-20-14-7-5-13(6-8-14)19-4-2/h3,5-8H,1,4,9-12H2,2H3,(H,17,18)
InChIKeyMSNBKTVWWGSXRI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.04
Rot. Bonds10

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

2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid (PubChem CID 79276001) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
PubChem CID79276001
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CCOc1ccc(OCC)cc1)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-3-9-16(12-15(17)18)10-11-20-14-7-5-13(6-8-14)19-4-2/h3,5-8H,1,4,9-12H2,2H3,(H,17,18)
InChIKeyMSNBKTVWWGSXRI-UHFFFAOYSA-N
XLogP2.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79269705
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650
2-[3-(3,5-dimethylphenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275496
2-[2-(2,5-dimethylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277521
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
(E)-3-[4-[2-[hexyl(prop-2-enyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 39102953
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 2943852

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid (CID 79276001) is 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid is C=CCN(CCOc1ccc(OCC)cc1)CC(=O)O.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid?
The InChIKey is MSNBKTVWWGSXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-9-16(12-15(17)18)10-11-20-14-7-5-13(6-8-14)19-4-2/h3,5-8H,1,4,9-12H2,2H3,(H,17,18).
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid?
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).