1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid

C4H11NO4S — CID 20539955

IUPAC1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid
SMILESCC(CN)(CO)S(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-4(2-5,3-6)10(7,8)9/h6H,2-3,5H2,1H3,(H,7,8,9)
InChIKeyDLIIMZHTXKZGHW-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.42
Rot. Bonds3

About 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid

1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid (PubChem CID 20539955) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid.

Molecular Properties

Compound Name1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid
PubChem CID20539955
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid
SMILESCC(CN)(CO)S(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-4(2-5,3-6)10(7,8)9/h6H,2-3,5H2,1H3,(H,7,8,9)
InChIKeyDLIIMZHTXKZGHW-UHFFFAOYSA-N
XLogP-1.42
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-1.42
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-amino-2-methylheptane-2-sulfonic acid
CID 86229774
3-amino-2-methyl-2-sulfopropanoic acid
CID 20561416
2-aminopropane-2-sulfonic acid
CID 18332427
2-aminoethane-1,1,1-trisulfonic acid;azane
CID 174764553
(2S,4R)-1-amino-4,6-dihydroxy-5,5-dimethyl-3-oxohexane-2-sulfonic acid
CID 28766744
1-amino-2-methylbutan-2-ol;methanesulfonic acid
CID 20512871
1-amino-2,4-dimethyl-3-oxopent-4-ene-2-sulfonic acid
CID 174389116
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid
CID 146318678
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
(3R)-4-hydroxy-3-methyl-3-methylsulfonylbutanoic acid
CID 174455132
2-ethyl-2-methylpropane-1,3-diol;methanesulfonic acid
CID 71389262

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid?
The IUPAC name of 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid (CID 20539955) is 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid.
What is the SMILES notation for 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid?
The canonical SMILES for 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid is CC(CN)(CO)S(=O)(=O)O.
What is the InChIKey of 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid?
The InChIKey is DLIIMZHTXKZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S/c1-4(2-5,3-6)10(7,8)9/h6H,2-3,5H2,1H3,(H,7,8,9).
What are the key properties of 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid?
1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid has a molecular weight of 169.20 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-hydroxy-2-methylpropane-2-sulfonic acid is sourced from PubChem (CID 20539955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).