cyclobutylmethyl 2-(3-aminophenoxy)acetate

C13H17NO3 — CID 65457241

IUPACcyclobutylmethyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCC2CCC2)c1
InChIInChI=1S/C13H17NO3/c14-11-5-2-6-12(7-11)16-9-13(15)17-8-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9,14H2
InChIKeyGQSBEISLTJACJG-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.99
Rot. Bonds5

About cyclobutylmethyl 2-(3-aminophenoxy)acetate

cyclobutylmethyl 2-(3-aminophenoxy)acetate (PubChem CID 65457241) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is cyclobutylmethyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Namecyclobutylmethyl 2-(3-aminophenoxy)acetate
PubChem CID65457241
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namecyclobutylmethyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCC2CCC2)c1
InChIInChI=1S/C13H17NO3/c14-11-5-2-6-12(7-11)16-9-13(15)17-8-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9,14H2
InChIKeyGQSBEISLTJACJG-UHFFFAOYSA-N
XLogP1.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclobutylmethyl 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

cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 2-(3-aminophenoxy)acetate?
The IUPAC name of cyclobutylmethyl 2-(3-aminophenoxy)acetate (CID 65457241) is cyclobutylmethyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for cyclobutylmethyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for cyclobutylmethyl 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)OCC2CCC2)c1.
What is the InChIKey of cyclobutylmethyl 2-(3-aminophenoxy)acetate?
The InChIKey is GQSBEISLTJACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-11-5-2-6-12(7-11)16-9-13(15)17-8-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9,14H2.
What are the key properties of cyclobutylmethyl 2-(3-aminophenoxy)acetate?
cyclobutylmethyl 2-(3-aminophenoxy)acetate has a molecular weight of 235.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 65457241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).