(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid

C7H10N4O4S — CID 104982989

IUPAC(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C7H10N4O4S/c1-3(12)5(6(13)14)10-7(15)9-4-2-8-11-16-4/h2-3,5,12H,1H3,(H,13,14)(H2,9,10,15)/t3-,5+/m1/s1
InChIKeyFUJVPLWDUGNDRT-WUJLRWPWSA-N
MW246.25 g/mol
LogP-0.51
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid

(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid (PubChem CID 104982989) has the molecular formula C7H10N4O4S and a molecular weight of 246.25 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
PubChem CID104982989
Molecular FormulaC7H10N4O4S
Molecular Weight246.25 g/mol
Exact Mass246.04
IUPAC Name(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C7H10N4O4S/c1-3(12)5(6(13)14)10-7(15)9-4-2-8-11-16-4/h2-3,5,12H,1H3,(H,13,14)(H2,9,10,15)/t3-,5+/m1/s1
InChIKeyFUJVPLWDUGNDRT-WUJLRWPWSA-N
XLogP-0.51
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid (CID 104982989) is (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid is C[C@@H](O)[C@H](NC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
The InChIKey is FUJVPLWDUGNDRT-WUJLRWPWSA-N. The full InChI is InChI=1S/C7H10N4O4S/c1-3(12)5(6(13)14)10-7(15)9-4-2-8-11-16-4/h2-3,5,12H,1H3,(H,13,14)(H2,9,10,15)/t3-,5+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid?
(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid has a molecular weight of 246.25 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 104982989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).