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

C12H18N2O3 — CID 62989922

IUPACethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccc(OC)nc1
InChIInChI=1S/C12H18N2O3/c1-4-17-12(15)9(2)13-7-10-5-6-11(16-3)14-8-10/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyKSOOBGLRGGOHDH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds6

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

ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate (PubChem CID 62989922) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
PubChem CID62989922
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccc(OC)nc1
InChIInChI=1S/C12H18N2O3/c1-4-17-12(15)9(2)13-7-10-5-6-11(16-3)14-8-10/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyKSOOBGLRGGOHDH-UHFFFAOYSA-N
XLogP1.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate (CID 62989922) is ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate is CCOC(=O)C(C)NCc1ccc(OC)nc1.
What is the InChIKey of ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
The InChIKey is KSOOBGLRGGOHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-17-12(15)9(2)13-7-10-5-6-11(16-3)14-8-10/h5-6,8-9,13H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate?
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 62989922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).