(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid

C5H7N5O4S — CID 104983025

IUPAC(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
SMILESO=C(Nc1nnns1)N[C@H](CO)C(=O)O
InChIInChI=1S/C5H7N5O4S/c11-1-2(3(12)13)6-4(14)7-5-8-9-10-15-5/h2,11H,1H2,(H,12,13)(H2,6,7,8,10,14)/t2-/m1/s1
InChIKeyNBPRKCSBDYGPMB-UWTATZPHSA-N
MW233.21 g/mol
LogP-1.50
Rot. Bonds4

About (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid

(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid (PubChem CID 104983025) has the molecular formula C5H7N5O4S and a molecular weight of 233.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
PubChem CID104983025
Molecular FormulaC5H7N5O4S
Molecular Weight233.21 g/mol
Exact Mass233.02
IUPAC Name(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid
SMILESO=C(Nc1nnns1)N[C@H](CO)C(=O)O
InChIInChI=1S/C5H7N5O4S/c11-1-2(3(12)13)6-4(14)7-5-8-9-10-15-5/h2,11H,1H2,(H,12,13)(H2,6,7,8,10,14)/t2-/m1/s1
InChIKeyNBPRKCSBDYGPMB-UWTATZPHSA-N
XLogP-1.50
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid (CID 104983025) is (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid is O=C(Nc1nnns1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
The InChIKey is NBPRKCSBDYGPMB-UWTATZPHSA-N. The full InChI is InChI=1S/C5H7N5O4S/c11-1-2(3(12)13)6-4(14)7-5-8-9-10-15-5/h2,11H,1H2,(H,12,13)(H2,6,7,8,10,14)/t2-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid?
(2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid has a molecular weight of 233.21 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(thiatriazol-5-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 104983025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).