ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate

C16H22FNO3 — CID 111334012

IUPACethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H22FNO3/c1-2-21-15(20)16(9-3-4-10-16)18-11-14(19)12-5-7-13(17)8-6-12/h5-8,14,18-19H,2-4,9-11H2,1H3
InChIKeyUGYJANHPXUPJMW-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.32
Rot. Bonds6

About ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate

ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate (PubChem CID 111334012) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate
PubChem CID111334012
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nameethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCC(O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C16H22FNO3/c1-2-21-15(20)16(9-3-4-10-16)18-11-14(19)12-5-7-13(17)8-6-12/h5-8,14,18-19H,2-4,9-11H2,1H3
InChIKeyUGYJANHPXUPJMW-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
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CID 55969080

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate (CID 111334012) is ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate is CCOC(=O)C1(NCC(O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate?
The InChIKey is UGYJANHPXUPJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-2-21-15(20)16(9-3-4-10-16)18-11-14(19)12-5-7-13(17)8-6-12/h5-8,14,18-19H,2-4,9-11H2,1H3.
What are the key properties of ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate?
ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 111334012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).