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

C9H15N3O3 — CID 106398384

IUPAC2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
SMILESCc1nc(CNCC(C)(C)C(=O)O)no1
InChIInChI=1S/C9H15N3O3/c1-6-11-7(12-15-6)4-10-5-9(2,3)8(13)14/h10H,4-5H2,1-3H3,(H,13,14)
InChIKeyLKCLDAZXMXTRMY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.58
Rot. Bonds5

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

2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid (PubChem CID 106398384) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
PubChem CID106398384
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
SMILESCc1nc(CNCC(C)(C)C(=O)O)no1
InChIInChI=1S/C9H15N3O3/c1-6-11-7(12-15-6)4-10-5-9(2,3)8(13)14/h10H,4-5H2,1-3H3,(H,13,14)
InChIKeyLKCLDAZXMXTRMY-UHFFFAOYSA-N
XLogP0.58
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid (CID 106398384) is 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid is Cc1nc(CNCC(C)(C)C(=O)O)no1.
What is the InChIKey of 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
The InChIKey is LKCLDAZXMXTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6-11-7(12-15-6)4-10-5-9(2,3)8(13)14/h10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid?
2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 106398384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).