3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid

C10H15N3O4S — CID 167833566

IUPAC3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid
SMILESCSC(C)C(=O)NC(Cc1nonc1C)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5-7(13-17-12-5)4-8(10(15)16)11-9(14)6(2)18-3/h6,8H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeySWOTZKCSBCXQDM-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.24
Rot. Bonds6

About 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid

3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid (PubChem CID 167833566) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid
PubChem CID167833566
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid
SMILESCSC(C)C(=O)NC(Cc1nonc1C)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5-7(13-17-12-5)4-8(10(15)16)11-9(14)6(2)18-3/h6,8H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeySWOTZKCSBCXQDM-UHFFFAOYSA-N
XLogP0.24
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid?
The IUPAC name of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid (CID 167833566) is 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid?
The canonical SMILES for 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid is CSC(C)C(=O)NC(Cc1nonc1C)C(=O)O.
What is the InChIKey of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid?
The InChIKey is SWOTZKCSBCXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5-7(13-17-12-5)4-8(10(15)16)11-9(14)6(2)18-3/h6,8H,4H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid?
3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylsulfanylpropanoylamino)propanoic acid is sourced from PubChem (CID 167833566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).