3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid

C9H13N3O4 — CID 43354813

IUPAC3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
SMILESCc1noc(CCC(=O)NCCC(=O)O)n1
InChIInChI=1S/C9H13N3O4/c1-6-11-8(16-12-6)3-2-7(13)10-5-4-9(14)15/h2-5H2,1H3,(H,10,13)(H,14,15)
InChIKeyIZDVVQXIQYSKDS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.10
Rot. Bonds6

About 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid

3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid (PubChem CID 43354813) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
PubChem CID43354813
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
SMILESCc1noc(CCC(=O)NCCC(=O)O)n1
InChIInChI=1S/C9H13N3O4/c1-6-11-8(16-12-6)3-2-7(13)10-5-4-9(14)15/h2-5H2,1H3,(H,10,13)(H,14,15)
InChIKeyIZDVVQXIQYSKDS-UHFFFAOYSA-N
XLogP-0.10
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid (CID 43354813) is 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid is Cc1noc(CCC(=O)NCCC(=O)O)n1.
What is the InChIKey of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The InChIKey is IZDVVQXIQYSKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6-11-8(16-12-6)3-2-7(13)10-5-4-9(14)15/h2-5H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 43354813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).