5-amino-2-hydroxypentane-2-sulfonic acid

C5H13NO4S — CID 131214705

IUPAC5-amino-2-hydroxypentane-2-sulfonic acid
SMILESCC(O)(CCCN)S(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-5(7,3-2-4-6)11(8,9)10/h7H,2-4,6H2,1H3,(H,8,9,10)
InChIKeyBYDUULIYCASDSV-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.68
Rot. Bonds4

About 5-amino-2-hydroxypentane-2-sulfonic acid

5-amino-2-hydroxypentane-2-sulfonic acid (PubChem CID 131214705) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-amino-2-hydroxypentane-2-sulfonic acid.

Molecular Properties

Compound Name5-amino-2-hydroxypentane-2-sulfonic acid
PubChem CID131214705
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name5-amino-2-hydroxypentane-2-sulfonic acid
SMILESCC(O)(CCCN)S(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-5(7,3-2-4-6)11(8,9)10/h7H,2-4,6H2,1H3,(H,8,9,10)
InChIKeyBYDUULIYCASDSV-UHFFFAOYSA-N
XLogP-0.68
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.68
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 5-amino-2-hydroxypentane-2-sulfonic acid?
The IUPAC name of 5-amino-2-hydroxypentane-2-sulfonic acid (CID 131214705) is 5-amino-2-hydroxypentane-2-sulfonic acid.
What is the SMILES notation for 5-amino-2-hydroxypentane-2-sulfonic acid?
The canonical SMILES for 5-amino-2-hydroxypentane-2-sulfonic acid is CC(O)(CCCN)S(=O)(=O)O.
What is the InChIKey of 5-amino-2-hydroxypentane-2-sulfonic acid?
The InChIKey is BYDUULIYCASDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-5(7,3-2-4-6)11(8,9)10/h7H,2-4,6H2,1H3,(H,8,9,10).
What are the key properties of 5-amino-2-hydroxypentane-2-sulfonic acid?
5-amino-2-hydroxypentane-2-sulfonic acid has a molecular weight of 183.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxypentane-2-sulfonic acid is sourced from PubChem (CID 131214705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).