cyclopropylmethyl 3-(3-aminophenoxy)propanoate

C13H17NO3 — CID 61309800

IUPACcyclopropylmethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCC2CC2)c1
InChIInChI=1S/C13H17NO3/c14-11-2-1-3-12(8-11)16-7-6-13(15)17-9-10-4-5-10/h1-3,8,10H,4-7,9,14H2
InChIKeyIIAGIFBDKRGBEH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.99
Rot. Bonds6

About cyclopropylmethyl 3-(3-aminophenoxy)propanoate

cyclopropylmethyl 3-(3-aminophenoxy)propanoate (PubChem CID 61309800) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is cyclopropylmethyl 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-(3-aminophenoxy)propanoate
PubChem CID61309800
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namecyclopropylmethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCC2CC2)c1
InChIInChI=1S/C13H17NO3/c14-11-2-1-3-12(8-11)16-7-6-13(15)17-9-10-4-5-10/h1-3,8,10H,4-7,9,14H2
InChIKeyIIAGIFBDKRGBEH-UHFFFAOYSA-N
XLogP1.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-(3-aminophenoxy)propanoate?
The IUPAC name of cyclopropylmethyl 3-(3-aminophenoxy)propanoate (CID 61309800) is cyclopropylmethyl 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for cyclopropylmethyl 3-(3-aminophenoxy)propanoate?
The canonical SMILES for cyclopropylmethyl 3-(3-aminophenoxy)propanoate is Nc1cccc(OCCC(=O)OCC2CC2)c1.
What is the InChIKey of cyclopropylmethyl 3-(3-aminophenoxy)propanoate?
The InChIKey is IIAGIFBDKRGBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-11-2-1-3-12(8-11)16-7-6-13(15)17-9-10-4-5-10/h1-3,8,10H,4-7,9,14H2.
What are the key properties of cyclopropylmethyl 3-(3-aminophenoxy)propanoate?
cyclopropylmethyl 3-(3-aminophenoxy)propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 61309800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).