2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid

C10H16N4O4 — CID 106403050

IUPAC2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1ncon1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)14(5-8(15)16)9(17)11-4-7-12-6-18-13-7/h6H,4-5H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyURXDJQFQOCNJJU-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.46
Rot. Bonds4

About 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid

2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 106403050) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
PubChem CID106403050
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1ncon1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)14(5-8(15)16)9(17)11-4-7-12-6-18-13-7/h6H,4-5H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyURXDJQFQOCNJJU-UHFFFAOYSA-N
XLogP0.46
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid (CID 106403050) is 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NCc1ncon1.
What is the InChIKey of 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is URXDJQFQOCNJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2,3)14(5-8(15)16)9(17)11-4-7-12-6-18-13-7/h6H,4-5H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid?
2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 256.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 106403050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).