2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid

C15H22N2O4 — CID 65444187

IUPAC2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid
SMILESCCN(CC)c1cccc(OCC(NC(C)=O)C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-4-17(5-2)12-7-6-8-13(9-12)21-10-14(15(19)20)16-11(3)18/h6-9,14H,4-5,10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyROTCKFLGGYIZIV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds8

About 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid

2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid (PubChem CID 65444187) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid
PubChem CID65444187
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid
SMILESCCN(CC)c1cccc(OCC(NC(C)=O)C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-4-17(5-2)12-7-6-8-13(9-12)21-10-14(15(19)20)16-11(3)18/h6-9,14H,4-5,10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyROTCKFLGGYIZIV-UHFFFAOYSA-N
XLogP1.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic 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-acetamido-3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736755
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
2-acetamido-3-(4-fluorophenoxy)propanoic acid
CID 65442176
2-acetamido-3-(3-chloro-4-fluorophenoxy)propanoic acid
CID 65443573
2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid
CID 43517019
2-acetamido-3-(4-methylsulfanylphenoxy)propanoic acid
CID 65441613
3-(3-ethoxyphenoxy)-2-(methylamino)propanoic acid
CID 62337887
2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
CID 107663499
methyl 2-acetamido-3-(3-propan-2-ylphenoxy)propanoate
CID 65442173
methyl 2-acetamido-3-(N-ethyl-3-hydroxyanilino)propanoate
CID 107736745
[3-(diethylamino)phenyl] N-ethylcarbamate;iodomethane
CID 23621882
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid?
The IUPAC name of 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid (CID 65444187) is 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid?
The canonical SMILES for 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid is CCN(CC)c1cccc(OCC(NC(C)=O)C(=O)O)c1.
What is the InChIKey of 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid?
The InChIKey is ROTCKFLGGYIZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(5-2)12-7-6-8-13(9-12)21-10-14(15(19)20)16-11(3)18/h6-9,14H,4-5,10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid?
2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid is sourced from PubChem (CID 65444187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).