(2R)-2-amino-3-methylbutane-1-sulfonic acid

C5H13NO3S — CID 14427202

IUPAC(2R)-2-amino-3-methylbutane-1-sulfonic acid
SMILESCC(C)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-4(2)5(6)3-10(7,8)9/h4-5H,3,6H2,1-2H3,(H,7,8,9)/t5-/m0/s1
InChIKeyWVIVEABPZNXWQX-YFKPBYRVSA-N
MW167.23 g/mol
LogP-0.14
Rot. Bonds3

About (2R)-2-amino-3-methylbutane-1-sulfonic acid

(2R)-2-amino-3-methylbutane-1-sulfonic acid (PubChem CID 14427202) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is (2R)-2-amino-3-methylbutane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-methylbutane-1-sulfonic acid
PubChem CID14427202
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name(2R)-2-amino-3-methylbutane-1-sulfonic acid
SMILESCC(C)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C5H13NO3S/c1-4(2)5(6)3-10(7,8)9/h4-5H,3,6H2,1-2H3,(H,7,8,9)/t5-/m0/s1
InChIKeyWVIVEABPZNXWQX-YFKPBYRVSA-N
XLogP-0.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.14
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 (2R)-2-amino-3-methylbutane-1-sulfonic acid?
The IUPAC name of (2R)-2-amino-3-methylbutane-1-sulfonic acid (CID 14427202) is (2R)-2-amino-3-methylbutane-1-sulfonic acid.
What is the SMILES notation for (2R)-2-amino-3-methylbutane-1-sulfonic acid?
The canonical SMILES for (2R)-2-amino-3-methylbutane-1-sulfonic acid is CC(C)[C@@H](N)CS(=O)(=O)O.
What is the InChIKey of (2R)-2-amino-3-methylbutane-1-sulfonic acid?
The InChIKey is WVIVEABPZNXWQX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-4(2)5(6)3-10(7,8)9/h4-5H,3,6H2,1-2H3,(H,7,8,9)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-methylbutane-1-sulfonic acid?
(2R)-2-amino-3-methylbutane-1-sulfonic acid has a molecular weight of 167.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylbutane-1-sulfonic acid is sourced from PubChem (CID 14427202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).