2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid

C13H17NO5 — CID 54900881

IUPAC2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C13H17NO5/c1-3-14(8-13(16)17)12(15)9-19-11-6-4-10(18-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyLKGBZSVJVJLKOK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.01
Rot. Bonds7

About 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid

2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid (PubChem CID 54900881) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
PubChem CID54900881
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C13H17NO5/c1-3-14(8-13(16)17)12(15)9-19-11-6-4-10(18-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyLKGBZSVJVJLKOK-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
2-[ethyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino]acetic acid
CID 119205945
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9094951
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid (CID 54900881) is 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid?
The InChIKey is LKGBZSVJVJLKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-14(8-13(16)17)12(15)9-19-11-6-4-10(18-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid?
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 54900881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).