ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate

C13H20N2O3 — CID 63588358

IUPACethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1cccc(OCC)n1
InChIInChI=1S/C13H20N2O3/c1-4-17-12-8-6-7-11(14-12)15(3)10-9-13(16)18-5-2/h6-8H,4-5,9-10H2,1-3H3
InChIKeyKEEZRFXTOWDMJW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.87
Rot. Bonds7

About ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate

ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate (PubChem CID 63588358) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
PubChem CID63588358
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1cccc(OCC)n1
InChIInChI=1S/C13H20N2O3/c1-4-17-12-8-6-7-11(14-12)15(3)10-9-13(16)18-5-2/h6-8H,4-5,9-10H2,1-3H3
InChIKeyKEEZRFXTOWDMJW-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-methoxy-2-pyridinyl)-methylamino]propanoate
CID 63588552
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
CID 55209509
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
methyl 3-[methyl-[6-[3-(2-methylphenyl)prop-2-ynoyloxy]-2-pyridinyl]amino]propanoate
CID 168942072
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127
tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate
CID 156635722
3-[(6-ethoxy-2-pyridinyl)-ethylamino]propanimidamide
CID 63590025
N'-(6-ethoxy-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 63586844
ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
CID 114074473
ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
CID 62239281

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate (CID 63588358) is ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate is CCOC(=O)CCN(C)c1cccc(OCC)n1.
What is the InChIKey of ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate?
The InChIKey is KEEZRFXTOWDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-17-12-8-6-7-11(14-12)15(3)10-9-13(16)18-5-2/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate?
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate has a molecular weight of 252.31 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate is sourced from PubChem (CID 63588358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).