ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate

C12H18N2O3 — CID 62989927

IUPACethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(OC)nc1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(15)6-7-13-8-10-4-5-11(16-2)14-9-10/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyPMJVQPAODKVASI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds7

About ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate

ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate (PubChem CID 62989927) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
PubChem CID62989927
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(OC)nc1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(15)6-7-13-8-10-4-5-11(16-2)14-9-10/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyPMJVQPAODKVASI-UHFFFAOYSA-N
XLogP1.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(6-bromo-3-pyridinyl)methylamino]propanoate
CID 118176608
ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate (CID 62989927) is ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate is CCOC(=O)CCNCc1ccc(OC)nc1.
What is the InChIKey of ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
The InChIKey is PMJVQPAODKVASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-12(15)6-7-13-8-10-4-5-11(16-2)14-9-10/h4-5,9,13H,3,6-8H2,1-2H3.
What are the key properties of ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 62989927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).