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

C9H15N3O3 — CID 43619422

IUPAC2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid
SMILESCCCC(C)(NCc1ncno1)C(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-4-9(2,8(13)14)11-5-7-10-6-12-15-7/h6,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyNDUKJECWUZHHLI-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.80
Rot. Bonds6

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

2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid (PubChem CID 43619422) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid
PubChem CID43619422
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid
SMILESCCCC(C)(NCc1ncno1)C(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-4-9(2,8(13)14)11-5-7-10-6-12-15-7/h6,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyNDUKJECWUZHHLI-UHFFFAOYSA-N
XLogP0.80
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.80
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)pentanoic acid?
The IUPAC name of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid (CID 43619422) is 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid is CCCC(C)(NCc1ncno1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid?
The InChIKey is NDUKJECWUZHHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-9(2,8(13)14)11-5-7-10-6-12-15-7/h6,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid?
2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.80, 6 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)pentanoic acid is sourced from PubChem (CID 43619422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).