2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid

C16H23NO5 — CID 119348002

IUPAC2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO5/c1-12(13-4-6-14(22-3)7-5-13)10-15(18)17(8-9-21-2)11-16(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChIKeyLKPQWLPRNDNPPX-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.75
Rot. Bonds9

About 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid

2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid (PubChem CID 119348002) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
PubChem CID119348002
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO5/c1-12(13-4-6-14(22-3)7-5-13)10-15(18)17(8-9-21-2)11-16(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChIKeyLKPQWLPRNDNPPX-UHFFFAOYSA-N
XLogP1.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic 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

2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
CID 119189812
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
2-[2-methoxyethyl(3-phenylpent-4-enoyl)amino]acetic acid
CID 120516172
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
CID 119197019
2-[ethyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino]acetic acid
CID 119205945
2-[carboxymethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 63651913
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid (CID 119348002) is 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CC(C)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The InChIKey is LKPQWLPRNDNPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-12(13-4-6-14(22-3)7-5-13)10-15(18)17(8-9-21-2)11-16(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid has a molecular weight of 309.36 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 119348002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).