2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

C8H11N3O4S — CID 43169881

IUPAC2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCc1nnc(NC(=O)CSC(C)C(=O)O)o1
InChIInChI=1S/C8H11N3O4S/c1-4(7(13)14)16-3-6(12)9-8-11-10-5(2)15-8/h4H,3H2,1-2H3,(H,13,14)(H,9,11,12)
InChIKeySDNDAXFNOSUFCV-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.52
Rot. Bonds5

About 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 43169881) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID43169881
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCc1nnc(NC(=O)CSC(C)C(=O)O)o1
InChIInChI=1S/C8H11N3O4S/c1-4(7(13)14)16-3-6(12)9-8-11-10-5(2)15-8/h4H,3H2,1-2H3,(H,13,14)(H,9,11,12)
InChIKeySDNDAXFNOSUFCV-UHFFFAOYSA-N
XLogP0.52
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (CID 43169881) is 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is Cc1nnc(NC(=O)CSC(C)C(=O)O)o1.
What is the InChIKey of 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is SDNDAXFNOSUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-4(7(13)14)16-3-6(12)9-8-11-10-5(2)15-8/h4H,3H2,1-2H3,(H,13,14)(H,9,11,12).
What are the key properties of 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43169881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).