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

C4H7FN2O4S — CID 70537331

IUPAC(2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid
SMILESN[C@@H]1C(=O)N(S(=O)(=O)O)[C@H]1CF
InChIInChI=1S/C4H7FN2O4S/c5-1-2-3(6)4(8)7(2)12(9,10)11/h2-3H,1,6H2,(H,9,10,11)/t2-,3-/m0/s1
InChIKeySFKLGPBLTDDPOV-HRFVKAFMSA-N
MW198.17 g/mol
LogP-1.70
Rot. Bonds2

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

(2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid (PubChem CID 70537331) has the molecular formula C4H7FN2O4S and a molecular weight of 198.17 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid
PubChem CID70537331
Molecular FormulaC4H7FN2O4S
Molecular Weight198.17 g/mol
Exact Mass198.01
IUPAC Name(2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid
SMILESN[C@@H]1C(=O)N(S(=O)(=O)O)[C@H]1CF
InChIInChI=1S/C4H7FN2O4S/c5-1-2-3(6)4(8)7(2)12(9,10)11/h2-3H,1,6H2,(H,9,10,11)/t2-,3-/m0/s1
InChIKeySFKLGPBLTDDPOV-HRFVKAFMSA-N
XLogP-1.70
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-1.70
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-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid?
The IUPAC name of (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid (CID 70537331) is (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid?
The canonical SMILES for (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid is N[C@@H]1C(=O)N(S(=O)(=O)O)[C@H]1CF.
What is the InChIKey of (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid?
The InChIKey is SFKLGPBLTDDPOV-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H7FN2O4S/c5-1-2-3(6)4(8)7(2)12(9,10)11/h2-3H,1,6H2,(H,9,10,11)/t2-,3-/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid?
(2R,3S)-3-amino-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid has a molecular weight of 198.17 g/mol, XLogP of -1.70, 2 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-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid is sourced from PubChem (CID 70537331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).