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

C11H18N4O4 — CID 106402610

IUPAC2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCc1noc(C)n1
InChIInChI=1S/C11H18N4O4/c1-4-7(2)15(6-10(16)17)11(18)12-5-9-13-8(3)19-14-9/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyZGQMZEUPBONKBA-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.77
Rot. Bonds6

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

2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 106402610) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID106402610
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCc1noc(C)n1
InChIInChI=1S/C11H18N4O4/c1-4-7(2)15(6-10(16)17)11(18)12-5-9-13-8(3)19-14-9/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyZGQMZEUPBONKBA-UHFFFAOYSA-N
XLogP0.77
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid (CID 106402610) is 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCc1noc(C)n1.
What is the InChIKey of 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is ZGQMZEUPBONKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-4-7(2)15(6-10(16)17)11(18)12-5-9-13-8(3)19-14-9/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid?
2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106402610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).