bis(2-aminoacetic acid);methanesulfonic acid

C6H18N2O10S2 — CID 173106300

IUPACbis(2-aminoacetic acid);methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/2C2H5NO2.2CH4O3S/c2*3-1-2(4)5;2*1-5(2,3)4/h2*1,3H2,(H,4,5);2*1H3,(H,2,3,4)
InChIKeyOPLQOSHREOIIDL-UHFFFAOYSA-N
MW342.35 g/mol
LogP-2.93
Rot. Bonds2

About bis(2-aminoacetic acid);methanesulfonic acid

bis(2-aminoacetic acid);methanesulfonic acid (PubChem CID 173106300) has the molecular formula C6H18N2O10S2 and a molecular weight of 342.35 g/mol. Its IUPAC name is bis(2-aminoacetic acid);methanesulfonic acid.

Molecular Properties

Compound Namebis(2-aminoacetic acid);methanesulfonic acid
PubChem CID173106300
Molecular FormulaC6H18N2O10S2
Molecular Weight342.35 g/mol
Exact Mass342.04
IUPAC Namebis(2-aminoacetic acid);methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/2C2H5NO2.2CH4O3S/c2*3-1-2(4)5;2*1-5(2,3)4/h2*1,3H2,(H,4,5);2*1H3,(H,2,3,4)
InChIKeyOPLQOSHREOIIDL-UHFFFAOYSA-N
XLogP-2.93
TPSA235.38 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 5-2.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);methanesulfonic acid?
The IUPAC name of bis(2-aminoacetic acid);methanesulfonic acid (CID 173106300) is bis(2-aminoacetic acid);methanesulfonic acid.
What is the SMILES notation for bis(2-aminoacetic acid);methanesulfonic acid?
The canonical SMILES for bis(2-aminoacetic acid);methanesulfonic acid is CS(=O)(=O)O.CS(=O)(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of bis(2-aminoacetic acid);methanesulfonic acid?
The InChIKey is OPLQOSHREOIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NO2.2CH4O3S/c2*3-1-2(4)5;2*1-5(2,3)4/h2*1,3H2,(H,4,5);2*1H3,(H,2,3,4).
What are the key properties of bis(2-aminoacetic acid);methanesulfonic acid?
bis(2-aminoacetic acid);methanesulfonic acid has a molecular weight of 342.35 g/mol, XLogP of -2.93, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);methanesulfonic acid is sourced from PubChem (CID 173106300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).