ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate

C12H18N2O3 — CID 62990254

IUPACethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccnc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(15)5-6-13-9-10-4-7-14-11(8-10)16-2/h4,7-8,13H,3,5-6,9H2,1-2H3
InChIKeyBNAXKMVSJCXJHE-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds7

About ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate

ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate (PubChem CID 62990254) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
PubChem CID62990254
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccnc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(15)5-6-13-9-10-4-7-14-11(8-10)16-2/h4,7-8,13H,3,5-6,9H2,1-2H3
InChIKeyBNAXKMVSJCXJHE-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

3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
ethyl 3-[(6-bromo-3-pyridinyl)methylamino]propanoate
CID 118176608
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
CID 81418952

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate (CID 62990254) is ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate is CCOC(=O)CCNCc1ccnc(OC)c1.
What is the InChIKey of ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate?
The InChIKey is BNAXKMVSJCXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-12(15)5-6-13-9-10-4-7-14-11(8-10)16-2/h4,7-8,13H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate?
ethyl 3-[(2-methoxy-4-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-[(2-methoxy-4-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 62990254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).