ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate

C13H19FN2O3 — CID 114080606

IUPACethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O3/c1-4-19-12(17)13(2,16-5-6-18-3)10-7-11(14)9-15-8-10/h7-9,16H,4-6H2,1-3H3
InChIKeyXPTLUQGUQQHVMW-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.24
Rot. Bonds7

About ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate

ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate (PubChem CID 114080606) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate
PubChem CID114080606
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O3/c1-4-19-12(17)13(2,16-5-6-18-3)10-7-11(14)9-15-8-10/h7-9,16H,4-6H2,1-3H3
InChIKeyXPTLUQGUQQHVMW-UHFFFAOYSA-N
XLogP1.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(2-methoxyethylamino)-2-pyridin-3-ylpropanamide
CID 62540330
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate
CID 62541696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate?
The IUPAC name of ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate (CID 114080606) is ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate.
What is the SMILES notation for ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate?
The canonical SMILES for ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate is CCOC(=O)C(C)(NCCOC)c1cncc(F)c1.
What is the InChIKey of ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate?
The InChIKey is XPTLUQGUQQHVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-4-19-12(17)13(2,16-5-6-18-3)10-7-11(14)9-15-8-10/h7-9,16H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate?
ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate has a molecular weight of 270.30 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 114080606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).