ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate

C11H14F2N2O2 — CID 112676422

IUPACethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-3-17-10(16)4-5-15(2)11-9(13)6-8(12)7-14-11/h6-7H,3-5H2,1-2H3
InChIKeyQCHYSYSJANTFEJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.75
Rot. Bonds5

About ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate

ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate (PubChem CID 112676422) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
PubChem CID112676422
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncc(F)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-3-17-10(16)4-5-15(2)11-9(13)6-8(12)7-14-11/h6-7H,3-5H2,1-2H3
InChIKeyQCHYSYSJANTFEJ-UHFFFAOYSA-N
XLogP1.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate (CID 112676422) is ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate is CCOC(=O)CCN(C)c1ncc(F)cc1F.
What is the InChIKey of ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate?
The InChIKey is QCHYSYSJANTFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-17-10(16)4-5-15(2)11-9(13)6-8(12)7-14-11/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate?
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate has a molecular weight of 244.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate is sourced from PubChem (CID 112676422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).