2-amino-3-hydroxybutane-1-sulfonic acid

C4H11NO4S — CID 15294686

IUPAC2-amino-3-hydroxybutane-1-sulfonic acid
SMILESCC(O)C(N)CS(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-3(6)4(5)2-10(7,8)9/h3-4,6H,2,5H2,1H3,(H,7,8,9)
InChIKeyOREJQUMZWOUCSZ-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.42
Rot. Bonds3

About 2-amino-3-hydroxybutane-1-sulfonic acid

2-amino-3-hydroxybutane-1-sulfonic acid (PubChem CID 15294686) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-amino-3-hydroxybutane-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutane-1-sulfonic acid
PubChem CID15294686
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name2-amino-3-hydroxybutane-1-sulfonic acid
SMILESCC(O)C(N)CS(=O)(=O)O
InChIInChI=1S/C4H11NO4S/c1-3(6)4(5)2-10(7,8)9/h3-4,6H,2,5H2,1H3,(H,7,8,9)
InChIKeyOREJQUMZWOUCSZ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutane-1-sulfonic acid?
The IUPAC name of 2-amino-3-hydroxybutane-1-sulfonic acid (CID 15294686) is 2-amino-3-hydroxybutane-1-sulfonic acid.
What is the SMILES notation for 2-amino-3-hydroxybutane-1-sulfonic acid?
The canonical SMILES for 2-amino-3-hydroxybutane-1-sulfonic acid is CC(O)C(N)CS(=O)(=O)O.
What is the InChIKey of 2-amino-3-hydroxybutane-1-sulfonic acid?
The InChIKey is OREJQUMZWOUCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S/c1-3(6)4(5)2-10(7,8)9/h3-4,6H,2,5H2,1H3,(H,7,8,9).
What are the key properties of 2-amino-3-hydroxybutane-1-sulfonic acid?
2-amino-3-hydroxybutane-1-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 2-amino-3-hydroxybutane-1-sulfonic acid is sourced from PubChem (CID 15294686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).