pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate

C15H16N2O3 — CID 61315802

IUPACpyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCc2cccnc2)c1
InChIInChI=1S/C15H16N2O3/c16-13-4-1-5-14(9-13)19-8-6-15(18)20-11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11,16H2
InChIKeyXJAPBHDRMKGGAP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.18
Rot. Bonds6

About pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate

pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate (PubChem CID 61315802) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
PubChem CID61315802
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namepyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCc2cccnc2)c1
InChIInChI=1S/C15H16N2O3/c16-13-4-1-5-14(9-13)19-8-6-15(18)20-11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11,16H2
InChIKeyXJAPBHDRMKGGAP-UHFFFAOYSA-N
XLogP2.18
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate 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

(5-bromo-3-pyridinyl)methyl 3-(3-aminophenoxy)propanoate
CID 104808427
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
N-[2-(3-aminophenoxy)ethyl]-3-pyridin-3-ylpropanamide
CID 114289960
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
CID 61316761
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
pyridin-3-ylmethyl 18-fluorooctadecanoate
CID 91704219
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate?
The IUPAC name of pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate (CID 61315802) is pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate?
The canonical SMILES for pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate is Nc1cccc(OCCC(=O)OCc2cccnc2)c1.
What is the InChIKey of pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate?
The InChIKey is XJAPBHDRMKGGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-13-4-1-5-14(9-13)19-8-6-15(18)20-11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11,16H2.
What are the key properties of pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate?
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate has a molecular weight of 272.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 61315802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).