(3S)-3-formamido-2-oxoazetidine-1-sulfonic acid

C4H6N2O5S — CID 101163089

IUPAC(3S)-3-formamido-2-oxoazetidine-1-sulfonic acid
SMILESO=CN[C@H]1CN(S(=O)(=O)O)C1=O
InChIInChI=1S/C4H6N2O5S/c7-2-5-3-1-6(4(3)8)12(9,10)11/h2-3H,1H2,(H,5,7)(H,9,10,11)/t3-/m0/s1
InChIKeyCPXGWMDHKZXBOZ-VKHMYHEASA-N
MW194.17 g/mol
LogP-2.25
Rot. Bonds3

About (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid

(3S)-3-formamido-2-oxoazetidine-1-sulfonic acid (PubChem CID 101163089) has the molecular formula C4H6N2O5S and a molecular weight of 194.17 g/mol. Its IUPAC name is (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid.

Molecular Properties

Compound Name(3S)-3-formamido-2-oxoazetidine-1-sulfonic acid
PubChem CID101163089
Molecular FormulaC4H6N2O5S
Molecular Weight194.17 g/mol
Exact Mass194.00
IUPAC Name(3S)-3-formamido-2-oxoazetidine-1-sulfonic acid
SMILESO=CN[C@H]1CN(S(=O)(=O)O)C1=O
InChIInChI=1S/C4H6N2O5S/c7-2-5-3-1-6(4(3)8)12(9,10)11/h2-3H,1H2,(H,5,7)(H,9,10,11)/t3-/m0/s1
InChIKeyCPXGWMDHKZXBOZ-VKHMYHEASA-N
XLogP-2.25
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid?
The IUPAC name of (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid (CID 101163089) is (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid.
What is the SMILES notation for (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid?
The canonical SMILES for (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid is O=CN[C@H]1CN(S(=O)(=O)O)C1=O.
What is the InChIKey of (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid?
The InChIKey is CPXGWMDHKZXBOZ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6N2O5S/c7-2-5-3-1-6(4(3)8)12(9,10)11/h2-3H,1H2,(H,5,7)(H,9,10,11)/t3-/m0/s1.
What are the key properties of (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid?
(3S)-3-formamido-2-oxoazetidine-1-sulfonic acid has a molecular weight of 194.17 g/mol, XLogP of -2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-formamido-2-oxoazetidine-1-sulfonic acid is sourced from PubChem (CID 101163089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).