2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid

C7H11N3O3 — CID 65264159

IUPAC2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
SMILESCC(C)(NCc1ncno1)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-7(2,6(11)12)9-3-5-8-4-10-13-5/h4,9H,3H2,1-2H3,(H,11,12)
InChIKeyIHMMWPWGLXBUBN-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.02
Rot. Bonds4

About 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid

2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid (PubChem CID 65264159) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
PubChem CID65264159
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
SMILESCC(C)(NCc1ncno1)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-7(2,6(11)12)9-3-5-8-4-10-13-5/h4,9H,3H2,1-2H3,(H,11,12)
InChIKeyIHMMWPWGLXBUBN-UHFFFAOYSA-N
XLogP0.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid (CID 65264159) is 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid is CC(C)(NCc1ncno1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
The InChIKey is IHMMWPWGLXBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-7(2,6(11)12)9-3-5-8-4-10-13-5/h4,9H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid?
2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid is sourced from PubChem (CID 65264159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).