ethyl 3-[methyl(pyridin-2-yl)amino]propanoate

C11H16N2O2 — CID 62004653

IUPACethyl 3-[methyl(pyridin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1ccccn1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)7-9-13(2)10-6-4-5-8-12-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyIIFPUMFTFOLHOF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.47
Rot. Bonds5

About ethyl 3-[methyl(pyridin-2-yl)amino]propanoate

ethyl 3-[methyl(pyridin-2-yl)amino]propanoate (PubChem CID 62004653) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 3-[methyl(pyridin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(pyridin-2-yl)amino]propanoate
PubChem CID62004653
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 3-[methyl(pyridin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1ccccn1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)7-9-13(2)10-6-4-5-8-12-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyIIFPUMFTFOLHOF-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(pyridin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(pyridin-2-yl)amino]propanoate (CID 62004653) is ethyl 3-[methyl(pyridin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(pyridin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(pyridin-2-yl)amino]propanoate is CCOC(=O)CCN(C)c1ccccn1.
What is the InChIKey of ethyl 3-[methyl(pyridin-2-yl)amino]propanoate?
The InChIKey is IIFPUMFTFOLHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)7-9-13(2)10-6-4-5-8-12-10/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of ethyl 3-[methyl(pyridin-2-yl)amino]propanoate?
ethyl 3-[methyl(pyridin-2-yl)amino]propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(pyridin-2-yl)amino]propanoate is sourced from PubChem (CID 62004653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).