2-aminoacetic acid tetrafluoroborate

C2H5BF4NO2- — CID 174481136

IUPAC2-aminoacetic acid tetrafluoroborate
SMILESF[B-](F)(F)F.NCC(=O)O
InChIInChI=1S/C2H5NO2.BF4/c3-1-2(4)5;2-1(3,4)5/h1,3H2,(H,4,5);/q;-1
InChIKeyBUVFHFGRLYFQME-UHFFFAOYSA-N
MW161.87 g/mol
LogP0.33
Rot. Bonds1

About 2-aminoacetic acid tetrafluoroborate

2-aminoacetic acid tetrafluoroborate (PubChem CID 174481136) has the molecular formula C2H5BF4NO2- and a molecular weight of 161.87 g/mol. Its IUPAC name is 2-aminoacetic acid tetrafluoroborate.

Molecular Properties

Compound Name2-aminoacetic acid tetrafluoroborate
PubChem CID174481136
Molecular FormulaC2H5BF4NO2-
Molecular Weight161.87 g/mol
Exact Mass162.04
IUPAC Name2-aminoacetic acid tetrafluoroborate
SMILESF[B-](F)(F)F.NCC(=O)O
InChIInChI=1S/C2H5NO2.BF4/c3-1-2(4)5;2-1(3,4)5/h1,3H2,(H,4,5);/q;-1
InChIKeyBUVFHFGRLYFQME-UHFFFAOYSA-N
XLogP0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.87
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
2-aminoacetic acid;iron;nickel
CID 175589238
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;barium(2+);hydride
CID 173122001
CID 174491455
CID 174491455
CID 174298851
CID 174298851

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid tetrafluoroborate?
The IUPAC name of 2-aminoacetic acid tetrafluoroborate (CID 174481136) is 2-aminoacetic acid tetrafluoroborate.
What is the SMILES notation for 2-aminoacetic acid tetrafluoroborate?
The canonical SMILES for 2-aminoacetic acid tetrafluoroborate is F[B-](F)(F)F.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid tetrafluoroborate?
The InChIKey is BUVFHFGRLYFQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.BF4/c3-1-2(4)5;2-1(3,4)5/h1,3H2,(H,4,5);/q;-1.
What are the key properties of 2-aminoacetic acid tetrafluoroborate?
2-aminoacetic acid tetrafluoroborate has a molecular weight of 161.87 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid tetrafluoroborate is sourced from PubChem (CID 174481136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).