2-amino-1-hydroxy-2-oxoethanesulfonic acid

C2H5NO5S — CID 57315808

IUPAC2-amino-1-hydroxy-2-oxoethanesulfonic acid
SMILESNC(=O)C(O)S(=O)(=O)O
InChIInChI=1S/C2H5NO5S/c3-1(4)2(5)9(6,7)8/h2,5H,(H2,3,4)(H,6,7,8)
InChIKeyBTAPPCIGCNXEOE-UHFFFAOYSA-N
MW155.13 g/mol
LogP-2.32
Rot. Bonds2

About 2-amino-1-hydroxy-2-oxoethanesulfonic acid

2-amino-1-hydroxy-2-oxoethanesulfonic acid (PubChem CID 57315808) has the molecular formula C2H5NO5S and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-amino-1-hydroxy-2-oxoethanesulfonic acid.

Molecular Properties

Compound Name2-amino-1-hydroxy-2-oxoethanesulfonic acid
PubChem CID57315808
Molecular FormulaC2H5NO5S
Molecular Weight155.13 g/mol
Exact Mass154.99
IUPAC Name2-amino-1-hydroxy-2-oxoethanesulfonic acid
SMILESNC(=O)C(O)S(=O)(=O)O
InChIInChI=1S/C2H5NO5S/c3-1(4)2(5)9(6,7)8/h2,5H,(H2,3,4)(H,6,7,8)
InChIKeyBTAPPCIGCNXEOE-UHFFFAOYSA-N
XLogP-2.32
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 ≤ 5-2.32
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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Related Compounds

1-hydroxy-2-(2-hydroxy-2-sulfoacetyl)oxy-2-oxoethanesulfonic acid
CID 175450587
1-hydroxy-2-methoxy-2-oxoethanesulfonic acid;sulfane
CID 174399118
calcium;hydride;2-hydroxy-2-sulfoacetic acid
CID 174453364
strontium;hydride;2-hydroxy-2-sulfoacetic acid
CID 174524960
2-(2-aminoethoxy)-1-hydroxy-2-oxoethanesulfonic acid
CID 174521915
3-amino-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 103574313
alumane;sulfuric acid;urea
CID 173346589
sodium;hydride;sulfuric acid;urea
CID 175229883
2-dodecoxy-1-hydroxy-2-oxoethanesulfonic acid
CID 151419203
lithium urea
CID 22107644
2,3,4,5,6-pentahydroxyhexanamide;sulfuric acid
CID 174474944
1-carbamoyloxyethanesulfonic acid
CID 174745548

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroxy-2-oxoethanesulfonic acid?
The IUPAC name of 2-amino-1-hydroxy-2-oxoethanesulfonic acid (CID 57315808) is 2-amino-1-hydroxy-2-oxoethanesulfonic acid.
What is the SMILES notation for 2-amino-1-hydroxy-2-oxoethanesulfonic acid?
The canonical SMILES for 2-amino-1-hydroxy-2-oxoethanesulfonic acid is NC(=O)C(O)S(=O)(=O)O.
What is the InChIKey of 2-amino-1-hydroxy-2-oxoethanesulfonic acid?
The InChIKey is BTAPPCIGCNXEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO5S/c3-1(4)2(5)9(6,7)8/h2,5H,(H2,3,4)(H,6,7,8).
What are the key properties of 2-amino-1-hydroxy-2-oxoethanesulfonic acid?
2-amino-1-hydroxy-2-oxoethanesulfonic acid has a molecular weight of 155.13 g/mol, XLogP of -2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxy-2-oxoethanesulfonic acid is sourced from PubChem (CID 57315808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).