4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid

C15H21NO5 — CID 43092346

IUPAC4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
SMILESCCOc1ccccc1OCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C15H21NO5/c1-3-20-12-7-4-5-8-13(12)21-11-14(17)16(2)10-6-9-15(18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,19)
InChIKeyZCQAVHOWKFBDFG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.79
Rot. Bonds9

About 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid

4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid (PubChem CID 43092346) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
PubChem CID43092346
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
SMILESCCOc1ccccc1OCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C15H21NO5/c1-3-20-12-7-4-5-8-13(12)21-11-14(17)16(2)10-6-9-15(18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,19)
InChIKeyZCQAVHOWKFBDFG-UHFFFAOYSA-N
XLogP1.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 60988957
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
CID 55710235
ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
CID 19384713
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid (CID 43092346) is 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid is CCOc1ccccc1OCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid?
The InChIKey is ZCQAVHOWKFBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-20-12-7-4-5-8-13(12)21-11-14(17)16(2)10-6-9-15(18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid?
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 43092346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).