2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid

C14H19NO5 — CID 61011460

IUPAC2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid
SMILESCCOc1ccc(OC(=O)CN(CC)CC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-3-15(9-13(16)17)10-14(18)20-12-7-5-11(6-8-12)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyVTLPWPOKJUKOIH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.40
Rot. Bonds8

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

2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 61011460) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid
PubChem CID61011460
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid
SMILESCCOc1ccc(OC(=O)CN(CC)CC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-3-15(9-13(16)17)10-14(18)20-12-7-5-11(6-8-12)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyVTLPWPOKJUKOIH-UHFFFAOYSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79269705
4-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxybenzoic acid
CID 57159752
[4-[2-(diethylamino)ethoxy]phenyl] propanoate
CID 90991611
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276001
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]-3-(4-ethoxyphenyl)propyl]amino]ethyl-ethylamino]acetic acid
CID 151018135
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
CID 68807016
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
2-[[(2S)-2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 146536191
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid (CID 61011460) is 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid is CCOc1ccc(OC(=O)CN(CC)CC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is VTLPWPOKJUKOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-15(9-13(16)17)10-14(18)20-12-7-5-11(6-8-12)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.40, 8 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]-ethylamino]acetic acid is sourced from PubChem (CID 61011460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).