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

C8H13N3O3 — CID 106397899

IUPAC2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
SMILESCc1nc(CNCC(C)C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(8(12)13)3-9-4-7-10-6(2)14-11-7/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyWZZJTRISNNXHTM-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.19
Rot. Bonds5

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

2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid (PubChem CID 106397899) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
PubChem CID106397899
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
SMILESCc1nc(CNCC(C)C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(8(12)13)3-9-4-7-10-6(2)14-11-7/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyWZZJTRISNNXHTM-UHFFFAOYSA-N
XLogP0.19
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid (CID 106397899) is 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid is Cc1nc(CNCC(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
The InChIKey is WZZJTRISNNXHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(8(12)13)3-9-4-7-10-6(2)14-11-7/h5,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 106397899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).