disodium;2-amino-2-sulfinatoacetate

C2H3NNa2O4S — CID 21133292

IUPACdisodium;2-amino-2-sulfinatoacetate
SMILESNC(C(=O)[O-])S(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C2H5NO4S.2Na/c3-1(2(4)5)8(6)7;;/h1H,3H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKeyOEBPDJSUBBLQNJ-UHFFFAOYSA-L
MW183.10 g/mol
LogP-9.09
Rot. Bonds2

About disodium;2-amino-2-sulfinatoacetate

disodium;2-amino-2-sulfinatoacetate (PubChem CID 21133292) has the molecular formula C2H3NNa2O4S and a molecular weight of 183.10 g/mol. Its IUPAC name is disodium;2-amino-2-sulfinatoacetate.

Molecular Properties

Compound Namedisodium;2-amino-2-sulfinatoacetate
PubChem CID21133292
Molecular FormulaC2H3NNa2O4S
Molecular Weight183.10 g/mol
Exact Mass182.96
IUPAC Namedisodium;2-amino-2-sulfinatoacetate
SMILESNC(C(=O)[O-])S(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C2H5NO4S.2Na/c3-1(2(4)5)8(6)7;;/h1H,3H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKeyOEBPDJSUBBLQNJ-UHFFFAOYSA-L
XLogP-9.09
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-9.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 87704477
azanium;sodium;hydrogen sulfite;urea
CID 161388694
disodium;2-sulfinato-2-sulfoacetate
CID 141231342
sodium;azane;hydrogen sulfite
CID 173222991
sodium;hydrogen sulfite;sulfurous acid
CID 173350028
sodium;zinc;hydrogen sulfite
CID 160800284
dilithium;2-amino-2-oxidoacetate
CID 56968278
(2S)-2-aminopropanoate
CID 5460980
sodium 2-amino-3-hydroxypropanoate
CID 23676048
sodium 2-hydroxy-2-sulfinoacetate
CID 174450931
iodanium;disodium;hydrogen sulfite;sulfite
CID 172740799
trisodium;hydrogen sulfite;bromide;chloride
CID 172849286

Frequently Asked Questions

What is the IUPAC name of disodium;2-amino-2-sulfinatoacetate?
The IUPAC name of disodium;2-amino-2-sulfinatoacetate (CID 21133292) is disodium;2-amino-2-sulfinatoacetate.
What is the SMILES notation for disodium;2-amino-2-sulfinatoacetate?
The canonical SMILES for disodium;2-amino-2-sulfinatoacetate is NC(C(=O)[O-])S(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-amino-2-sulfinatoacetate?
The InChIKey is OEBPDJSUBBLQNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5NO4S.2Na/c3-1(2(4)5)8(6)7;;/h1H,3H2,(H,4,5)(H,6,7);;/q;2*+1/p-2.
What are the key properties of disodium;2-amino-2-sulfinatoacetate?
disodium;2-amino-2-sulfinatoacetate has a molecular weight of 183.10 g/mol, XLogP of -9.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-amino-2-sulfinatoacetate is sourced from PubChem (CID 21133292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).