cyclopentylmethyl 3-(4-aminophenoxy)propanoate

C15H21NO3 — CID 61343403

IUPACcyclopentylmethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCC2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c16-13-5-7-14(8-6-13)18-10-9-15(17)19-11-12-3-1-2-4-12/h5-8,12H,1-4,9-11,16H2
InChIKeyTTZHTSVKSWQNDB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds6

About cyclopentylmethyl 3-(4-aminophenoxy)propanoate

cyclopentylmethyl 3-(4-aminophenoxy)propanoate (PubChem CID 61343403) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is cyclopentylmethyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Namecyclopentylmethyl 3-(4-aminophenoxy)propanoate
PubChem CID61343403
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namecyclopentylmethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCC2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c16-13-5-7-14(8-6-13)18-10-9-15(17)19-11-12-3-1-2-4-12/h5-8,12H,1-4,9-11,16H2
InChIKeyTTZHTSVKSWQNDB-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
cyclohexylmethyl 3-(4-aminophenyl)propanoate
CID 61314323
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
(5,5-dimethyloxolan-2-yl)methyl 3-(4-aminophenoxy)propanoate
CID 116523238
cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of cyclopentylmethyl 3-(4-aminophenoxy)propanoate (CID 61343403) is cyclopentylmethyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for cyclopentylmethyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for cyclopentylmethyl 3-(4-aminophenoxy)propanoate is Nc1ccc(OCCC(=O)OCC2CCCC2)cc1.
What is the InChIKey of cyclopentylmethyl 3-(4-aminophenoxy)propanoate?
The InChIKey is TTZHTSVKSWQNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-13-5-7-14(8-6-13)18-10-9-15(17)19-11-12-3-1-2-4-12/h5-8,12H,1-4,9-11,16H2.
What are the key properties of cyclopentylmethyl 3-(4-aminophenoxy)propanoate?
cyclopentylmethyl 3-(4-aminophenoxy)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 61343403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).