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

C7H11N3O3S — CID 63033819

IUPAC2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
SMILESCc1nnc(SCCC(N)C(=O)O)o1
InChIInChI=1S/C7H11N3O3S/c1-4-9-10-7(13-4)14-3-2-5(8)6(11)12/h5H,2-3,8H2,1H3,(H,11,12)
InChIKeyHWDZKKHEFLEGAW-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.27
Rot. Bonds5

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

2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid (PubChem CID 63033819) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
PubChem CID63033819
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
SMILESCc1nnc(SCCC(N)C(=O)O)o1
InChIInChI=1S/C7H11N3O3S/c1-4-9-10-7(13-4)14-3-2-5(8)6(11)12/h5H,2-3,8H2,1H3,(H,11,12)
InChIKeyHWDZKKHEFLEGAW-UHFFFAOYSA-N
XLogP0.27
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid with MolForge

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Related Compounds

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
CID 55144942
2-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63097909
methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
CID 63033462
ethyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)butanoate
CID 63035411
methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 63033099
(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 104889207
2-amino-4-pyrimidin-2-ylsulfanylbutanoic acid
CID 63035392
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 63099998
2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 63035563
2-amino-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]butanoic acid
CID 60929999
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanal
CID 4090699
6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol
CID 103867892

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
The IUPAC name of 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid (CID 63033819) is 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
The canonical SMILES for 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid is Cc1nnc(SCCC(N)C(=O)O)o1.
What is the InChIKey of 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
The InChIKey is HWDZKKHEFLEGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-4-9-10-7(13-4)14-3-2-5(8)6(11)12/h5H,2-3,8H2,1H3,(H,11,12).
What are the key properties of 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid?
2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid has a molecular weight of 217.25 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid is sourced from PubChem (CID 63033819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).