ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate

C12H14F4N2O2 — CID 21198210

IUPACethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H14F4N2O2/c1-5-20-11(19)12(2,3)18(4)8-6(13)9(15)17-10(16)7(8)14/h5H2,1-4H3
InChIKeyLYOXINPAAGMCQS-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate

ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate (PubChem CID 21198210) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate
PubChem CID21198210
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)N(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H14F4N2O2/c1-5-20-11(19)12(2,3)18(4)8-6(13)9(15)17-10(16)7(8)14/h5H2,1-4H3
InChIKeyLYOXINPAAGMCQS-UHFFFAOYSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742
tert-butyl (3R)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]butanoate
CID 155764998
ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate
CID 10890700
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
ethyl 2,2-dimethyl-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 12687559
ethyl 3-(1H-imidazol-5-yl)-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate
CID 21198317
ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate
CID 174385530
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
CID 115128756
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
diethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanedioate
CID 86725111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate (CID 21198210) is ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate is CCOC(=O)C(C)(C)N(C)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate?
The InChIKey is LYOXINPAAGMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c1-5-20-11(19)12(2,3)18(4)8-6(13)9(15)17-10(16)7(8)14/h5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate?
ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate has a molecular weight of 294.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate is sourced from PubChem (CID 21198210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).