ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate

C15H20FNO2 — CID 61498275

IUPACethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)10(2)17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,10-12,17H,3,8-9H2,1-2H3
InChIKeyUPMRRGCPLMTVMX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.61
Rot. Bonds5

About ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate

ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate (PubChem CID 61498275) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
PubChem CID61498275
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)10(2)17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,10-12,17H,3,8-9H2,1-2H3
InChIKeyUPMRRGCPLMTVMX-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate?
The IUPAC name of ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate (CID 61498275) is ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate is CCOC(=O)C(C)NC1CC(c2ccccc2F)C1.
What is the InChIKey of ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate?
The InChIKey is UPMRRGCPLMTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-15(18)10(2)17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,10-12,17H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate?
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate has a molecular weight of 265.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate is sourced from PubChem (CID 61498275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).