ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate

C17H24FNO2 — CID 58000149

IUPACethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
SMILESCCOC(=O)C(CNCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H24FNO2/c1-2-21-17(20)16(14-5-3-4-6-14)12-19-11-13-7-9-15(18)10-8-13/h7-10,14,16,19H,2-6,11-12H2,1H3
InChIKeyIQHNLUJSKWILBF-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate

ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate (PubChem CID 58000149) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
PubChem CID58000149
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
SMILESCCOC(=O)C(CNCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H24FNO2/c1-2-21-17(20)16(14-5-3-4-6-14)12-19-11-13-7-9-15(18)10-8-13/h7-10,14,16,19H,2-6,11-12H2,1H3
InChIKeyIQHNLUJSKWILBF-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate (CID 58000149) is ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate is CCOC(=O)C(CNCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
The InChIKey is IQHNLUJSKWILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-21-17(20)16(14-5-3-4-6-14)12-19-11-13-7-9-15(18)10-8-13/h7-10,14,16,19H,2-6,11-12H2,1H3.
What are the key properties of ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate?
ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate has a molecular weight of 293.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate is sourced from PubChem (CID 58000149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).