3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid

C5H6N2O3S — CID 23006614

IUPAC3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid
SMILESO=C(O)CCSc1nnco1
InChIInChI=1S/C5H6N2O3S/c8-4(9)1-2-11-5-7-6-3-10-5/h3H,1-2H2,(H,8,9)
InChIKeyGZXVBBALAYEYDJ-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.64
Rot. Bonds4

About 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid

3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid (PubChem CID 23006614) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid
PubChem CID23006614
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid
SMILESO=C(O)CCSc1nnco1
InChIInChI=1S/C5H6N2O3S/c8-4(9)1-2-11-5-7-6-3-10-5/h3H,1-2H2,(H,8,9)
InChIKeyGZXVBBALAYEYDJ-UHFFFAOYSA-N
XLogP0.64
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid (CID 23006614) is 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid is O=C(O)CCSc1nnco1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid?
The InChIKey is GZXVBBALAYEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c8-4(9)1-2-11-5-7-6-3-10-5/h3H,1-2H2,(H,8,9).
What are the key properties of 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid?
3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid has a molecular weight of 174.18 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 23006614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).