1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride

C13H17ClFNO3 — CID 174434660

IUPAC1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCC(OC(=O)CCC(=O)CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H16FNO3.ClH/c1-9(10-2-4-11(14)5-3-10)18-13(17)7-6-12(16)8-15;/h2-5,9H,6-8,15H2,1H3;1H
InChIKeyFBDUEXHLAAXFEA-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.16
Rot. Bonds6

About 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride

1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride (PubChem CID 174434660) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride
PubChem CID174434660
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCC(OC(=O)CCC(=O)CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H16FNO3.ClH/c1-9(10-2-4-11(14)5-3-10)18-13(17)7-6-12(16)8-15;/h2-5,9H,6-8,15H2,1H3;1H
InChIKeyFBDUEXHLAAXFEA-UHFFFAOYSA-N
XLogP2.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate
CID 174434661
[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
CID 132573494
5-O-[1-(4-fluorophenyl)ethyl] 1-O-heptyl pentanedioate
CID 91711814
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
1-(4-fluorophenyl)ethyl 2-methylbutanoate
CID 174934035
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 32915458
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
1-(4-fluorophenyl)ethyl 3-phenothiazin-10-ylpropanoate
CID 4969584
[(1R)-1-(4-fluorophenyl)ethyl] 3-phenothiazin-10-ylpropanoate
CID 2524191
difluoromethyl 5-amino-4-oxopentanoate
CID 141396702
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763359

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride (CID 174434660) is 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride is CC(OC(=O)CCC(=O)CN)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride?
The InChIKey is FBDUEXHLAAXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3.ClH/c1-9(10-2-4-11(14)5-3-10)18-13(17)7-6-12(16)8-15;/h2-5,9H,6-8,15H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride?
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride is sourced from PubChem (CID 174434660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).