ethyl 4-amino-5-fluoropentanoate;hydrochloride

C7H15ClFNO2 — CID 105452534

IUPACethyl 4-amino-5-fluoropentanoate;hydrochloride
SMILESCCOC(=O)CCC(N)CF.Cl
InChIInChI=1S/C7H14FNO2.ClH/c1-2-11-7(10)4-3-6(9)5-8;/h6H,2-5,9H2,1H3;1H
InChIKeyVVPSWVGDINGZNO-UHFFFAOYSA-N
MW199.65 g/mol
LogP1.05
Rot. Bonds5

About ethyl 4-amino-5-fluoropentanoate;hydrochloride

ethyl 4-amino-5-fluoropentanoate;hydrochloride (PubChem CID 105452534) has the molecular formula C7H15ClFNO2 and a molecular weight of 199.65 g/mol. Its IUPAC name is ethyl 4-amino-5-fluoropentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-5-fluoropentanoate;hydrochloride
PubChem CID105452534
Molecular FormulaC7H15ClFNO2
Molecular Weight199.65 g/mol
Exact Mass199.08
IUPAC Nameethyl 4-amino-5-fluoropentanoate;hydrochloride
SMILESCCOC(=O)CCC(N)CF.Cl
InChIInChI=1S/C7H14FNO2.ClH/c1-2-11-7(10)4-3-6(9)5-8;/h6H,2-5,9H2,1H3;1H
InChIKeyVVPSWVGDINGZNO-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-amino-5-fluoropentanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-5-fluoropentanoate
CID 13477556
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
CID 91975022
diethyl 4-iodoheptanedioate
CID 102577942
diethyl 4-(trifluoromethyl)heptanedioate
CID 102090199
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 4-acetylheptanedioate
CID 15669145
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
diethyl (2R)-2-cyanopentanedioate
CID 51381364
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-fluoropentanoate;hydrochloride?
The IUPAC name of ethyl 4-amino-5-fluoropentanoate;hydrochloride (CID 105452534) is ethyl 4-amino-5-fluoropentanoate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-5-fluoropentanoate;hydrochloride?
The canonical SMILES for ethyl 4-amino-5-fluoropentanoate;hydrochloride is CCOC(=O)CCC(N)CF.Cl.
What is the InChIKey of ethyl 4-amino-5-fluoropentanoate;hydrochloride?
The InChIKey is VVPSWVGDINGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2.ClH/c1-2-11-7(10)4-3-6(9)5-8;/h6H,2-5,9H2,1H3;1H.
What are the key properties of ethyl 4-amino-5-fluoropentanoate;hydrochloride?
ethyl 4-amino-5-fluoropentanoate;hydrochloride has a molecular weight of 199.65 g/mol, XLogP of 1.05, 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;hydrochloride is sourced from PubChem (CID 105452534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).