2-amino-2-sulfoacetic acid;hydrochloride

C2H6ClNO5S — CID 86736466

IUPAC2-amino-2-sulfoacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C2H5NO5S.ClH/c3-1(2(4)5)9(6,7)8;/h1H,3H2,(H,4,5)(H,6,7,8);1H
InChIKeyBSMBMQVGOTVWJK-UHFFFAOYSA-N
MW191.59 g/mol
LogP-1.33
Rot. Bonds2

About 2-amino-2-sulfoacetic acid;hydrochloride

2-amino-2-sulfoacetic acid;hydrochloride (PubChem CID 86736466) has the molecular formula C2H6ClNO5S and a molecular weight of 191.59 g/mol. Its IUPAC name is 2-amino-2-sulfoacetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-sulfoacetic acid;hydrochloride
PubChem CID86736466
Molecular FormulaC2H6ClNO5S
Molecular Weight191.59 g/mol
Exact Mass190.97
IUPAC Name2-amino-2-sulfoacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C2H5NO5S.ClH/c3-1(2(4)5)9(6,7)8;/h1H,3H2,(H,4,5)(H,6,7,8);1H
InChIKeyBSMBMQVGOTVWJK-UHFFFAOYSA-N
XLogP-1.33
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 5-1.33
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;hydrochloride?
The IUPAC name of 2-amino-2-sulfoacetic acid;hydrochloride (CID 86736466) is 2-amino-2-sulfoacetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-sulfoacetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-sulfoacetic acid;hydrochloride is Cl.NC(C(=O)O)S(=O)(=O)O.
What is the InChIKey of 2-amino-2-sulfoacetic acid;hydrochloride?
The InChIKey is BSMBMQVGOTVWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO5S.ClH/c3-1(2(4)5)9(6,7)8;/h1H,3H2,(H,4,5)(H,6,7,8);1H.
What are the key properties of 2-amino-2-sulfoacetic acid;hydrochloride?
2-amino-2-sulfoacetic acid;hydrochloride has a molecular weight of 191.59 g/mol, XLogP of -1.33, 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;hydrochloride is sourced from PubChem (CID 86736466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).