3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid

C16H24N2O3 — CID 82320048

IUPAC3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
SMILESCc1cccc(N(CCC(=O)O)CCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-14-3-2-4-15(13-14)18(6-5-16(19)20)8-7-17-9-11-21-12-10-17/h2-4,13H,5-12H2,1H3,(H,19,20)
InChIKeyAUAIEANTBLXEBI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.61
Rot. Bonds7

About 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid

3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid (PubChem CID 82320048) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
PubChem CID82320048
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
SMILESCc1cccc(N(CCC(=O)O)CCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-14-3-2-4-15(13-14)18(6-5-16(19)20)8-7-17-9-11-21-12-10-17/h2-4,13H,5-12H2,1H3,(H,19,20)
InChIKeyAUAIEANTBLXEBI-UHFFFAOYSA-N
XLogP1.61
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]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

4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
3-[N-(2,2-difluoroethyl)-3-methylanilino]propanoic acid
CID 154398395
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
3-[3-cyano-N-(2-pyrrolidin-1-ylethyl)anilino]propanoic acid
CID 82319736
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
3-[N-(2-morpholin-4-ylethyl)anilino]propan-1-ol
CID 111543585
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid?
The IUPAC name of 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid (CID 82320048) is 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid.
What is the SMILES notation for 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid?
The canonical SMILES for 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid is Cc1cccc(N(CCC(=O)O)CCN2CCOCC2)c1.
What is the InChIKey of 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid?
The InChIKey is AUAIEANTBLXEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-14-3-2-4-15(13-14)18(6-5-16(19)20)8-7-17-9-11-21-12-10-17/h2-4,13H,5-12H2,1H3,(H,19,20).
What are the key properties of 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid?
3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid is sourced from PubChem (CID 82320048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).