3-(diethylamino)-2-fluoropropanoic acid;hydrochloride

C7H15ClFNO2 — CID 71755875

IUPAC3-(diethylamino)-2-fluoropropanoic acid;hydrochloride
SMILESCCN(CC)CC(F)C(=O)O.Cl
InChIInChI=1S/C7H14FNO2.ClH/c1-3-9(4-2)5-6(8)7(10)11;/h6H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyHFQJAQNWOLZBQU-UHFFFAOYSA-N
MW199.65 g/mol
LogP1.17
Rot. Bonds5

About 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride

3-(diethylamino)-2-fluoropropanoic acid;hydrochloride (PubChem CID 71755875) has the molecular formula C7H15ClFNO2 and a molecular weight of 199.65 g/mol. Its IUPAC name is 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)-2-fluoropropanoic acid;hydrochloride
PubChem CID71755875
Molecular FormulaC7H15ClFNO2
Molecular Weight199.65 g/mol
Exact Mass199.08
IUPAC Name3-(diethylamino)-2-fluoropropanoic acid;hydrochloride
SMILESCCN(CC)CC(F)C(=O)O.Cl
InChIInChI=1S/C7H14FNO2.ClH/c1-3-9(4-2)5-6(8)7(10)11;/h6H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyHFQJAQNWOLZBQU-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)propanoic acid
CID 239828
N,N-Diethyl-beta-alanine
CID 247454
3-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)
CID 201603
3-(Dimethylamino)propanoic acid hydrochloride
CID 11586327
N,N-diethyl-beta-alanine hydrochloride
CID 3084241
3-(Dipropylamino)propanoic acid
CID 351690
Methylbetaine
CID 192884
3-(Dimethylamino)-2-methylpropanoic acid hydrochloride
CID 44118489
3-[Ethyl(methyl)amino]propanoic acid hydrochloride
CID 44118490
(2-Carboxyethyl)trimethylazanium bromide
CID 71346876
3-(Dimethylamino)-2,2-dimethylpropanoic acid hydrochloride
CID 86179916
3-(Azetidin-1-yl)propanoic acid hydrochloride
CID 165605407

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride?
The IUPAC name of 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride (CID 71755875) is 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride.
What is the SMILES notation for 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride?
The canonical SMILES for 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride is CCN(CC)CC(F)C(=O)O.Cl.
What is the InChIKey of 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride?
The InChIKey is HFQJAQNWOLZBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2.ClH/c1-3-9(4-2)5-6(8)7(10)11;/h6H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride?
3-(diethylamino)-2-fluoropropanoic acid;hydrochloride has a molecular weight of 199.65 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-fluoropropanoic acid;hydrochloride is sourced from PubChem (CID 71755875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).