2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid

C10H15N3O5 — CID 75412514

IUPAC2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCc1nc(CC(=O)O)no1
InChIInChI=1S/C10H15N3O5/c1-10(2,3)17-9(16)11-5-7-12-6(13-18-7)4-8(14)15/h4-5H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyHCLRNEZCRYAEGR-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.72
Rot. Bonds4

About 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid

2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 75412514) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID75412514
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCc1nc(CC(=O)O)no1
InChIInChI=1S/C10H15N3O5/c1-10(2,3)17-9(16)11-5-7-12-6(13-18-7)4-8(14)15/h4-5H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyHCLRNEZCRYAEGR-UHFFFAOYSA-N
XLogP0.72
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid (CID 75412514) is 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid is CC(C)(C)OC(=O)NCc1nc(CC(=O)O)no1.
What is the InChIKey of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is HCLRNEZCRYAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-10(2,3)17-9(16)11-5-7-12-6(13-18-7)4-8(14)15/h4-5H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 257.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 75412514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).