2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid

C8H13N3O3 — CID 62821964

IUPAC2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCN(Cc1ncon1)C(C)(C)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-8(2,7(12)13)11(3)4-6-9-5-14-10-6/h5H,4H2,1-3H3,(H,12,13)
InChIKeyRGRSLURQUHLPDC-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.36
Rot. Bonds4

About 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid

2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (PubChem CID 62821964) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
PubChem CID62821964
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCN(Cc1ncon1)C(C)(C)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-8(2,7(12)13)11(3)4-6-9-5-14-10-6/h5H,4H2,1-3H3,(H,12,13)
InChIKeyRGRSLURQUHLPDC-UHFFFAOYSA-N
XLogP0.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (CID 62821964) is 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is CN(Cc1ncon1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The InChIKey is RGRSLURQUHLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-8(2,7(12)13)11(3)4-6-9-5-14-10-6/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 62821964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).