sodium;2-aminoacetic acid;bromide

C2H5BrNNaO2 — CID 174820906

IUPACsodium;2-aminoacetic acid;bromide
SMILESNCC(=O)O.[Br-].[Na+]
InChIInChI=1S/C2H5NO2.BrH.Na/c3-1-2(4)5;;/h1,3H2,(H,4,5);1H;/q;;+1/p-1
InChIKeyKAUDWKRFHQJYMI-UHFFFAOYSA-M
MW177.96 g/mol
LogP-6.96
Rot. Bonds1

About sodium;2-aminoacetic acid;bromide

sodium;2-aminoacetic acid;bromide (PubChem CID 174820906) has the molecular formula C2H5BrNNaO2 and a molecular weight of 177.96 g/mol. Its IUPAC name is sodium;2-aminoacetic acid;bromide.

Molecular Properties

Compound Namesodium;2-aminoacetic acid;bromide
PubChem CID174820906
Molecular FormulaC2H5BrNNaO2
Molecular Weight177.96 g/mol
Exact Mass176.94
IUPAC Namesodium;2-aminoacetic acid;bromide
SMILESNCC(=O)O.[Br-].[Na+]
InChIInChI=1S/C2H5NO2.BrH.Na/c3-1-2(4)5;;/h1,3H2,(H,4,5);1H;/q;;+1/p-1
InChIKeyKAUDWKRFHQJYMI-UHFFFAOYSA-M
XLogP-6.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.96
LogP ≤ 5-6.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze sodium;2-aminoacetic acid;bromide 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

bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
sodium;2-aminoacetic acid;methylsilanide
CID 174830355
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;iron;nickel
CID 175589238
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319
2-aminoacetic acid;barium(2+);hydride
CID 173122001
CID 174491455
CID 174491455
disodium;2-aminoacetic acid;hydrogen carbonate;hydroxide
CID 174055066

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminoacetic acid;bromide?
The IUPAC name of sodium;2-aminoacetic acid;bromide (CID 174820906) is sodium;2-aminoacetic acid;bromide.
What is the SMILES notation for sodium;2-aminoacetic acid;bromide?
The canonical SMILES for sodium;2-aminoacetic acid;bromide is NCC(=O)O.[Br-].[Na+].
What is the InChIKey of sodium;2-aminoacetic acid;bromide?
The InChIKey is KAUDWKRFHQJYMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO2.BrH.Na/c3-1-2(4)5;;/h1,3H2,(H,4,5);1H;/q;;+1/p-1.
What are the key properties of sodium;2-aminoacetic acid;bromide?
sodium;2-aminoacetic acid;bromide has a molecular weight of 177.96 g/mol, XLogP of -6.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminoacetic acid;bromide is sourced from PubChem (CID 174820906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).