3-(dimethylamino)-2-fluoropropanoic acid

C5H10FNO2 — CID 84648240

IUPAC3-(dimethylamino)-2-fluoropropanoic acid
SMILESCN(C)CC(F)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-7(2)3-4(6)5(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyLXWRBAKVWBBUFL-UHFFFAOYSA-N
MW135.14 g/mol
LogP-0.03
Rot. Bonds3

About 3-(dimethylamino)-2-fluoropropanoic acid

3-(dimethylamino)-2-fluoropropanoic acid (PubChem CID 84648240) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 3-(dimethylamino)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-fluoropropanoic acid
PubChem CID84648240
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name3-(dimethylamino)-2-fluoropropanoic acid
SMILESCN(C)CC(F)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-7(2)3-4(6)5(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyLXWRBAKVWBBUFL-UHFFFAOYSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Alanine betaine
CID 441440
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-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-fluoropropanoic acid?
The IUPAC name of 3-(dimethylamino)-2-fluoropropanoic acid (CID 84648240) is 3-(dimethylamino)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-fluoropropanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-fluoropropanoic acid is CN(C)CC(F)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2-fluoropropanoic acid?
The InChIKey is LXWRBAKVWBBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-7(2)3-4(6)5(8)9/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-(dimethylamino)-2-fluoropropanoic acid?
3-(dimethylamino)-2-fluoropropanoic acid has a molecular weight of 135.14 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-fluoropropanoic acid is sourced from PubChem (CID 84648240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).