(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate

C13H15NO5 — CID 61315040

IUPAC(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C13H15NO5/c14-9-1-3-10(4-2-9)17-8-6-12(15)19-11-5-7-18-13(11)16/h1-4,11H,5-8,14H2
InChIKeyHVBKVOVZZVOSAR-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.90
Rot. Bonds5

About (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate

(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate (PubChem CID 61315040) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
PubChem CID61315040
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C13H15NO5/c14-9-1-3-10(4-2-9)17-8-6-12(15)19-11-5-7-18-13(11)16/h1-4,11H,5-8,14H2
InChIKeyHVBKVOVZZVOSAR-UHFFFAOYSA-N
XLogP0.90
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(2-oxooxolan-3-yl) butanedioate
CID 20776580
(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 84885944
[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
CID 8896967
bis(4-methylphenyl)-[4-[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]phenyl]sulfanium
CID 59378990
hydrazine;(2-oxooxolan-3-yl) 3-[bis(2-ethoxyethyl)amino]propanoate
CID 162054409
(5,5-dimethyloxolan-2-yl)methyl 3-(4-aminophenoxy)propanoate
CID 116523238
[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate
CID 2366322

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate?
The IUPAC name of (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate (CID 61315040) is (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate is Nc1ccc(OCCC(=O)OC2CCOC2=O)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate?
The InChIKey is HVBKVOVZZVOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c14-9-1-3-10(4-2-9)17-8-6-12(15)19-11-5-7-18-13(11)16/h1-4,11H,5-8,14H2.
What are the key properties of (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate?
(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate has a molecular weight of 265.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 61315040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).