ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate

C11H15FN2O2 — CID 83119923

IUPACethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(NC)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O2/c1-4-16-10(15)11(2,13-3)9-6-5-8(12)7-14-9/h5-7,13H,4H2,1-3H3
InChIKeyWHQUYVGSAUFXBW-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.22
Rot. Bonds4

About ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate

ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate (PubChem CID 83119923) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
PubChem CID83119923
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(NC)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O2/c1-4-16-10(15)11(2,13-3)9-6-5-8(12)7-14-9/h5-7,13H,4H2,1-3H3
InChIKeyWHQUYVGSAUFXBW-UHFFFAOYSA-N
XLogP1.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 2-(5-fluoro-2-pyridinyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 83119614
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
CID 104572268
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
CID 112586720
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036
methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119001
ethyl 2,2-difluoro-3-(5-fluoro-2-pyridinyl)-3-oxopropanoate
CID 79713225
ethyl 2-(5-fluoro-2-pyridinyl)-2-piperazin-1-ylbutanoate
CID 115938867
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate (CID 83119923) is ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate is CCOC(=O)C(C)(NC)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate?
The InChIKey is WHQUYVGSAUFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-4-16-10(15)11(2,13-3)9-6-5-8(12)7-14-9/h5-7,13H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate?
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate has a molecular weight of 226.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate is sourced from PubChem (CID 83119923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).