2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

C13H23N3O3 — CID 60834385

IUPAC2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-6-9(2)16(8-11(17)18)7-10-14-12(19-15-10)13(3,4)5/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeyLTCIUVTVOLRIJQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.05
Rot. Bonds6

About 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (PubChem CID 60834385) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
PubChem CID60834385
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-6-9(2)16(8-11(17)18)7-10-14-12(19-15-10)13(3,4)5/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeyLTCIUVTVOLRIJQ-UHFFFAOYSA-N
XLogP2.05
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (CID 60834385) is 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is CCC(C)N(CC(=O)O)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The InChIKey is LTCIUVTVOLRIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-6-9(2)16(8-11(17)18)7-10-14-12(19-15-10)13(3,4)5/h9H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 60834385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).