2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid

C10H17N3O3 — CID 65265499

IUPAC2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid
SMILESCC(C)(NCc1ncno1)C(C)(C)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-9(2,8(14)15)10(3,4)12-5-7-11-6-13-16-7/h6,12H,5H2,1-4H3,(H,14,15)
InChIKeyRAJVGKMDDNHJKG-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.05
Rot. Bonds5

About 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid

2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid (PubChem CID 65265499) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid
PubChem CID65265499
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid
SMILESCC(C)(NCc1ncno1)C(C)(C)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-9(2,8(14)15)10(3,4)12-5-7-11-6-13-16-7/h6,12H,5H2,1-4H3,(H,14,15)
InChIKeyRAJVGKMDDNHJKG-UHFFFAOYSA-N
XLogP1.05
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid (CID 65265499) is 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid is CC(C)(NCc1ncno1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid?
The InChIKey is RAJVGKMDDNHJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-9(2,8(14)15)10(3,4)12-5-7-11-6-13-16-7/h6,12H,5H2,1-4H3,(H,14,15).
What are the key properties of 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid?
2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid is sourced from PubChem (CID 65265499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).