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

C13H17FN2O2 — CID 83120217

IUPACethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCCOC(=O)C(C)(NC1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN2O2/c1-3-18-12(17)13(2,16-10-5-6-10)11-7-4-9(14)8-15-11/h4,7-8,10,16H,3,5-6H2,1-2H3
InChIKeyBFKPCMIAFUUDBG-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.75
Rot. Bonds5

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

ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate (PubChem CID 83120217) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
PubChem CID83120217
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nameethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
SMILESCCOC(=O)C(C)(NC1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN2O2/c1-3-18-12(17)13(2,16-10-5-6-10)11-7-4-9(14)8-15-11/h4,7-8,10,16H,3,5-6H2,1-2H3
InChIKeyBFKPCMIAFUUDBG-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate (CID 83120217) is ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate is CCOC(=O)C(C)(NC1CC1)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
The InChIKey is BFKPCMIAFUUDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-18-12(17)13(2,16-10-5-6-10)11-7-4-9(14)8-15-11/h4,7-8,10,16H,3,5-6H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate?
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate has a molecular weight of 252.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate is sourced from PubChem (CID 83120217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).