oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate

C14H19NO4 — CID 61316757

IUPACoxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCC2CCOC2)cc1
InChIInChI=1S/C14H19NO4/c15-12-1-3-13(4-2-12)18-8-6-14(16)19-10-11-5-7-17-9-11/h1-4,11H,5-10,15H2
InChIKeyKWXLAAFNEOQXEV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds6

About oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate

oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate (PubChem CID 61316757) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
PubChem CID61316757
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameoxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCC2CCOC2)cc1
InChIInChI=1S/C14H19NO4/c15-12-1-3-13(4-2-12)18-8-6-14(16)19-10-11-5-7-17-9-11/h1-4,11H,5-10,15H2
InChIKeyKWXLAAFNEOQXEV-UHFFFAOYSA-N
XLogP1.62
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxolan-3-ylmethyl 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

cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403
3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
CID 61112787
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
(5,5-dimethyloxolan-2-yl)methyl 3-(4-aminophenoxy)propanoate
CID 116523238
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
CID 61315040
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
CID 99814284

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate (CID 61316757) is oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate is Nc1ccc(OCCC(=O)OCC2CCOC2)cc1.
What is the InChIKey of oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate?
The InChIKey is KWXLAAFNEOQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c15-12-1-3-13(4-2-12)18-8-6-14(16)19-10-11-5-7-17-9-11/h1-4,11H,5-10,15H2.
What are the key properties of oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate?
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 61316757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).