2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid

C10H15N3O4 — CID 106394751

IUPAC2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCc1ncon1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,9(15)16)5-8(14)11-4-3-7-12-6-17-13-7/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyLHQRPJKAQZNDDU-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.23
Rot. Bonds6

About 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid

2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 106394751) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
PubChem CID106394751
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCc1ncon1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,9(15)16)5-8(14)11-4-3-7-12-6-17-13-7/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyLHQRPJKAQZNDDU-UHFFFAOYSA-N
XLogP0.23
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid (CID 106394751) is 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid is CC(C)(CC(=O)NCCc1ncon1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is LHQRPJKAQZNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,9(15)16)5-8(14)11-4-3-7-12-6-17-13-7/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid?
2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 106394751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).