3-(dimethylamino)-2-fluoro-3-oxopropanoic acid

C5H8FNO3 — CID 55303453

IUPAC3-(dimethylamino)-2-fluoro-3-oxopropanoic acid
SMILESCN(C)C(=O)C(F)C(=O)O
InChIInChI=1S/C5H8FNO3/c1-7(2)4(8)3(6)5(9)10/h3H,1-2H3,(H,9,10)
InChIKeyZOYQAYMWJBGXGD-UHFFFAOYSA-N
MW149.12 g/mol
LogP-0.50
Rot. Bonds2

About 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid

3-(dimethylamino)-2-fluoro-3-oxopropanoic acid (PubChem CID 55303453) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-fluoro-3-oxopropanoic acid
PubChem CID55303453
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name3-(dimethylamino)-2-fluoro-3-oxopropanoic acid
SMILESCN(C)C(=O)C(F)C(=O)O
InChIInChI=1S/C5H8FNO3/c1-7(2)4(8)3(6)5(9)10/h3H,1-2H3,(H,9,10)
InChIKeyZOYQAYMWJBGXGD-UHFFFAOYSA-N
XLogP-0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(Dimethylamino)-3-oxopropanoic acid
CID 13627061
3-(Dimethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 22569163
3-[Carbonofluoridoyl(methyl)amino]propanoic acid
CID 130266766
3-[Acetyl(methyl)amino]-3-oxopropanoic acid
CID 45088623
3-[Butyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62229904
3-Oxo-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62229905
3-[Methyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62231102
3-[Ethyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62232465
3-[Methyl(3,3,3-trifluoropropyl)amino]-3-oxopropanoic acid
CID 65529991
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 114897410
3-[2,2-Difluoroethyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114899042
3-[2,2-Difluoroethyl(methyl)amino]-3-oxopropanoic acid
CID 116317434

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid?
The IUPAC name of 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid (CID 55303453) is 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid is CN(C)C(=O)C(F)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid?
The InChIKey is ZOYQAYMWJBGXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO3/c1-7(2)4(8)3(6)5(9)10/h3H,1-2H3,(H,9,10).
What are the key properties of 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid?
3-(dimethylamino)-2-fluoro-3-oxopropanoic acid has a molecular weight of 149.12 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-fluoro-3-oxopropanoic acid is sourced from PubChem (CID 55303453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).