cyclopentyl 3-(2-aminophenoxy)propanoate

C14H19NO3 — CID 61310999

IUPACcyclopentyl 3-(2-aminophenoxy)propanoate
SMILESNc1ccccc1OCCC(=O)OC1CCCC1
InChIInChI=1S/C14H19NO3/c15-12-7-3-4-8-13(12)17-10-9-14(16)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10,15H2
InChIKeySBPBJYOWTFSPPC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.52
Rot. Bonds5

About cyclopentyl 3-(2-aminophenoxy)propanoate

cyclopentyl 3-(2-aminophenoxy)propanoate (PubChem CID 61310999) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is cyclopentyl 3-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Namecyclopentyl 3-(2-aminophenoxy)propanoate
PubChem CID61310999
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namecyclopentyl 3-(2-aminophenoxy)propanoate
SMILESNc1ccccc1OCCC(=O)OC1CCCC1
InChIInChI=1S/C14H19NO3/c15-12-7-3-4-8-13(12)17-10-9-14(16)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10,15H2
InChIKeySBPBJYOWTFSPPC-UHFFFAOYSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
CID 155659985
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106930461
cyclohexyl 3-[3-chloro-10-(3-cyclohexyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
CID 155660078
3-(2-aminophenoxy)propanamide
CID 39869131
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
2-(2-cyclobutyloxyethoxy)aniline
CID 62116635
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-aminophenoxy)propan-1-one
CID 82751602
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-(2-aminophenoxy)propanoate?
The IUPAC name of cyclopentyl 3-(2-aminophenoxy)propanoate (CID 61310999) is cyclopentyl 3-(2-aminophenoxy)propanoate.
What is the SMILES notation for cyclopentyl 3-(2-aminophenoxy)propanoate?
The canonical SMILES for cyclopentyl 3-(2-aminophenoxy)propanoate is Nc1ccccc1OCCC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-(2-aminophenoxy)propanoate?
The InChIKey is SBPBJYOWTFSPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-12-7-3-4-8-13(12)17-10-9-14(16)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10,15H2.
What are the key properties of cyclopentyl 3-(2-aminophenoxy)propanoate?
cyclopentyl 3-(2-aminophenoxy)propanoate has a molecular weight of 249.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-(2-aminophenoxy)propanoate is sourced from PubChem (CID 61310999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).