(2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

C4H8N2O4S — CID 11084475

IUPAC(2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
SMILESC[C@@H]1[C@H](N)C(=O)N1S(=O)(=O)O
InChIInChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)/t2-,3+/m1/s1
InChIKeyISUIVWNWEDIHJD-GBXIJSLDSA-N
MW180.19 g/mol
LogP-1.65
Rot. Bonds1

About (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

(2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid (PubChem CID 11084475) has the molecular formula C4H8N2O4S and a molecular weight of 180.19 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
PubChem CID11084475
Molecular FormulaC4H8N2O4S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Name(2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
SMILESC[C@@H]1[C@H](N)C(=O)N1S(=O)(=O)O
InChIInChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)/t2-,3+/m1/s1
InChIKeyISUIVWNWEDIHJD-GBXIJSLDSA-N
XLogP-1.65
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
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 (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
The IUPAC name of (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid (CID 11084475) is (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
The canonical SMILES for (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid is C[C@@H]1[C@H](N)C(=O)N1S(=O)(=O)O.
What is the InChIKey of (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
The InChIKey is ISUIVWNWEDIHJD-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)/t2-,3+/m1/s1.
What are the key properties of (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid?
(2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid has a molecular weight of 180.19 g/mol, XLogP of -1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid is sourced from PubChem (CID 11084475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).