2-amino-2-sulfoacetic acid

C2H5NO5S — CID 21325357

IUPAC2-amino-2-sulfoacetic acid
SMILESNC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C2H5NO5S/c3-1(2(4)5)9(6,7)8/h1H,3H2,(H,4,5)(H,6,7,8)
InChIKeyUAHTXYARMUSFEF-UHFFFAOYSA-N
MW155.13 g/mol
LogP-1.76
Rot. Bonds2

About 2-amino-2-sulfoacetic acid

2-amino-2-sulfoacetic acid (PubChem CID 21325357) has the molecular formula C2H5NO5S and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-amino-2-sulfoacetic acid.

Molecular Properties

Compound Name2-amino-2-sulfoacetic acid
PubChem CID21325357
Molecular FormulaC2H5NO5S
Molecular Weight155.13 g/mol
Exact Mass154.99
IUPAC Name2-amino-2-sulfoacetic acid
SMILESNC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C2H5NO5S/c3-1(2(4)5)9(6,7)8/h1H,3H2,(H,4,5)(H,6,7,8)
InChIKeyUAHTXYARMUSFEF-UHFFFAOYSA-N
XLogP-1.76
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-amino-2-sulfoacetic acid?
The IUPAC name of 2-amino-2-sulfoacetic acid (CID 21325357) is 2-amino-2-sulfoacetic acid.
What is the SMILES notation for 2-amino-2-sulfoacetic acid?
The canonical SMILES for 2-amino-2-sulfoacetic acid is NC(C(=O)O)S(=O)(=O)O.
What is the InChIKey of 2-amino-2-sulfoacetic acid?
The InChIKey is UAHTXYARMUSFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO5S/c3-1(2(4)5)9(6,7)8/h1H,3H2,(H,4,5)(H,6,7,8).
What are the key properties of 2-amino-2-sulfoacetic acid?
2-amino-2-sulfoacetic acid has a molecular weight of 155.13 g/mol, XLogP of -1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-sulfoacetic acid is sourced from PubChem (CID 21325357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).