3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid

C10H15N3O4 — CID 106394618

IUPAC3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCc1ncon1
InChIInChI=1S/C10H15N3O4/c1-10(2,4-9(15)16)3-8(14)11-5-7-12-6-17-13-7/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyGXAWZXZYZJOBJA-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.58
Rot. Bonds6

About 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid

3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid (PubChem CID 106394618) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
PubChem CID106394618
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCc1ncon1
InChIInChI=1S/C10H15N3O4/c1-10(2,4-9(15)16)3-8(14)11-5-7-12-6-17-13-7/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyGXAWZXZYZJOBJA-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid (CID 106394618) is 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NCc1ncon1.
What is the InChIKey of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
The InChIKey is GXAWZXZYZJOBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,4-9(15)16)3-8(14)11-5-7-12-6-17-13-7/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid?
3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 106394618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).