cyclopentylmethyl 2-(3-aminophenoxy)acetate

C14H19NO3 — CID 61343036

IUPACcyclopentylmethyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCC2CCCC2)c1
InChIInChI=1S/C14H19NO3/c15-12-6-3-7-13(8-12)17-10-14(16)18-9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10,15H2
InChIKeyYPDPXIPRSJWQKX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.38
Rot. Bonds5

About cyclopentylmethyl 2-(3-aminophenoxy)acetate

cyclopentylmethyl 2-(3-aminophenoxy)acetate (PubChem CID 61343036) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is cyclopentylmethyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Namecyclopentylmethyl 2-(3-aminophenoxy)acetate
PubChem CID61343036
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namecyclopentylmethyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCC2CCCC2)c1
InChIInChI=1S/C14H19NO3/c15-12-6-3-7-13(8-12)17-10-14(16)18-9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10,15H2
InChIKeyYPDPXIPRSJWQKX-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopentylmethyl 2-(3-aminophenoxy)acetate 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

cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
CID 46307497
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-(3-aminophenoxy)acetate?
The IUPAC name of cyclopentylmethyl 2-(3-aminophenoxy)acetate (CID 61343036) is cyclopentylmethyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for cyclopentylmethyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for cyclopentylmethyl 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)OCC2CCCC2)c1.
What is the InChIKey of cyclopentylmethyl 2-(3-aminophenoxy)acetate?
The InChIKey is YPDPXIPRSJWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-12-6-3-7-13(8-12)17-10-14(16)18-9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10,15H2.
What are the key properties of cyclopentylmethyl 2-(3-aminophenoxy)acetate?
cyclopentylmethyl 2-(3-aminophenoxy)acetate has a molecular weight of 249.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61343036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).