ethyl 4-amino-5-fluoropentanoate

C7H14FNO2 — CID 13477556

IUPACethyl 4-amino-5-fluoropentanoate
SMILESCCOC(=O)CCC(N)CF
InChIInChI=1S/C7H14FNO2/c1-2-11-7(10)4-3-6(9)5-8/h6H,2-5,9H2,1H3
InChIKeyYGCVFZNJHBYLGX-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.63
Rot. Bonds5

About ethyl 4-amino-5-fluoropentanoate

ethyl 4-amino-5-fluoropentanoate (PubChem CID 13477556) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is ethyl 4-amino-5-fluoropentanoate.

Molecular Properties

Compound Nameethyl 4-amino-5-fluoropentanoate
PubChem CID13477556
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Nameethyl 4-amino-5-fluoropentanoate
SMILESCCOC(=O)CCC(N)CF
InChIInChI=1S/C7H14FNO2/c1-2-11-7(10)4-3-6(9)5-8/h6H,2-5,9H2,1H3
InChIKeyYGCVFZNJHBYLGX-UHFFFAOYSA-N
XLogP0.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-5-fluoropentanoate;hydrochloride
CID 105452534
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl 4-iodoheptanedioate
CID 102577942
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
diethyl 4-(trifluoromethyl)heptanedioate
CID 102090199
diethyl 4-acetylheptanedioate
CID 15669145
diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
CID 91975022
diethyl 2-(1-aminoethyl)pentanedioate
CID 166437194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-fluoropentanoate?
The IUPAC name of ethyl 4-amino-5-fluoropentanoate (CID 13477556) is ethyl 4-amino-5-fluoropentanoate.
What is the SMILES notation for ethyl 4-amino-5-fluoropentanoate?
The canonical SMILES for ethyl 4-amino-5-fluoropentanoate is CCOC(=O)CCC(N)CF.
What is the InChIKey of ethyl 4-amino-5-fluoropentanoate?
The InChIKey is YGCVFZNJHBYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-2-11-7(10)4-3-6(9)5-8/h6H,2-5,9H2,1H3.
What are the key properties of ethyl 4-amino-5-fluoropentanoate?
ethyl 4-amino-5-fluoropentanoate has a molecular weight of 163.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-fluoropentanoate is sourced from PubChem (CID 13477556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).