2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid

C9H15N3O3 — CID 60833259

IUPAC2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-7(2)12(5-9(13)14)4-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyWLCUSEZCTPHRRT-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.75
Rot. Bonds6

About 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid

2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 60833259) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID60833259
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1ncon1
InChIInChI=1S/C9H15N3O3/c1-3-7(2)12(5-9(13)14)4-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyWLCUSEZCTPHRRT-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 60833259) is 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is CCC(C)N(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is WLCUSEZCTPHRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-7(2)12(5-9(13)14)4-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 213.24 g/mol, XLogP of 0.75, 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(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 60833259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).