2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid

C13H17NO4 — CID 43092155

IUPAC2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
SMILESCCc1cccc(OCC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C13H17NO4/c1-3-10-5-4-6-11(7-10)18-9-12(15)14(2)8-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyUCOUHALJVVIQAB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.17
Rot. Bonds6

About 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid

2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid (PubChem CID 43092155) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
PubChem CID43092155
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
SMILESCCc1cccc(OCC(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C13H17NO4/c1-3-10-5-4-6-11(7-10)18-9-12(15)14(2)8-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyUCOUHALJVVIQAB-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
2-[(3-ethylphenoxy)carbonyl-methylamino]acetic acid
CID 116819552
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
CID 82109404
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
CID 110837124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid (CID 43092155) is 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid is CCc1cccc(OCC(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid?
The InChIKey is UCOUHALJVVIQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-10-5-4-6-11(7-10)18-9-12(15)14(2)8-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid?
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 43092155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).