2-cyclobutylethyl 3-(4-aminophenoxy)propanoate

C15H21NO3 — CID 106203637

IUPAC2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCCC2CCC2)cc1
InChIInChI=1S/C15H21NO3/c16-13-4-6-14(7-5-13)18-11-9-15(17)19-10-8-12-2-1-3-12/h4-7,12H,1-3,8-11,16H2
InChIKeyHOTIMHUBASEMCJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds7

About 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate

2-cyclobutylethyl 3-(4-aminophenoxy)propanoate (PubChem CID 106203637) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Name2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
PubChem CID106203637
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCCC2CCC2)cc1
InChIInChI=1S/C15H21NO3/c16-13-4-6-14(7-5-13)18-11-9-15(17)19-10-8-12-2-1-3-12/h4-7,12H,1-3,8-11,16H2
InChIKeyHOTIMHUBASEMCJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate 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-Ethoxyaniline
CID 9076
4-Hexyloxyaniline
CID 38360
4-Butyloxyaniline
CID 20352
Benzenamine, 4-propoxy-
CID 78221
Phenol, 4-amino-, 1-acetate
CID 83783
Benzenamine, 4-(pentyloxy)-
CID 94500
4-(3-Methylbutoxy)benzenamine
CID 21262
Ethyl 2-(4-aminophenoxy)acetate
CID 412616
4-(2-Cyclohexylethoxy)aniline
CID 15943048
4-(Cyclobutylmethoxy)-3,5-difluorobenzenamine
CID 86276903
2-(4-Aminophenoxy)acetic acid
CID 95797
1,3-Bis(4-aminophenoxy)propane
CID 572769

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate (CID 106203637) is 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate is Nc1ccc(OCCC(=O)OCCC2CCC2)cc1.
What is the InChIKey of 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate?
The InChIKey is HOTIMHUBASEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-13-4-6-14(7-5-13)18-11-9-15(17)19-10-8-12-2-1-3-12/h4-7,12H,1-3,8-11,16H2.
What are the key properties of 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate?
2-cyclobutylethyl 3-(4-aminophenoxy)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 106203637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).