(2S,3R)-3-aminobutane-2-sulfonic acid

C4H11NO3S — CID 123572619

IUPAC(2S,3R)-3-aminobutane-2-sulfonic acid
SMILESC[C@@H](N)[C@H](C)S(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3(5)4(2)9(6,7)8/h3-4H,5H2,1-2H3,(H,6,7,8)/t3-,4+/m1/s1
InChIKeyKOVGNLPGOFOHMW-DMTCNVIQSA-N
MW153.20 g/mol
LogP-0.39
Rot. Bonds2

About (2S,3R)-3-aminobutane-2-sulfonic acid

(2S,3R)-3-aminobutane-2-sulfonic acid (PubChem CID 123572619) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is (2S,3R)-3-aminobutane-2-sulfonic acid.

Molecular Properties

Compound Name(2S,3R)-3-aminobutane-2-sulfonic acid
PubChem CID123572619
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name(2S,3R)-3-aminobutane-2-sulfonic acid
SMILESC[C@@H](N)[C@H](C)S(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3(5)4(2)9(6,7)8/h3-4H,5H2,1-2H3,(H,6,7,8)/t3-,4+/m1/s1
InChIKeyKOVGNLPGOFOHMW-DMTCNVIQSA-N
XLogP-0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2S,3R)-3-aminobutane-2-sulfonic acid?
The IUPAC name of (2S,3R)-3-aminobutane-2-sulfonic acid (CID 123572619) is (2S,3R)-3-aminobutane-2-sulfonic acid.
What is the SMILES notation for (2S,3R)-3-aminobutane-2-sulfonic acid?
The canonical SMILES for (2S,3R)-3-aminobutane-2-sulfonic acid is C[C@@H](N)[C@H](C)S(=O)(=O)O.
What is the InChIKey of (2S,3R)-3-aminobutane-2-sulfonic acid?
The InChIKey is KOVGNLPGOFOHMW-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-3(5)4(2)9(6,7)8/h3-4H,5H2,1-2H3,(H,6,7,8)/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-3-aminobutane-2-sulfonic acid?
(2S,3R)-3-aminobutane-2-sulfonic acid has a molecular weight of 153.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-aminobutane-2-sulfonic acid is sourced from PubChem (CID 123572619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).