2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid

C10H15N3O4 — CID 106394654

IUPAC2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCCc1ncno1
InChIInChI=1S/C10H15N3O4/c1-6(7(2)10(15)16)9(14)11-4-3-8-12-5-13-17-8/h5-7H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyPPEUUZWBAVEEKM-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.09
Rot. Bonds6

About 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid

2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid (PubChem CID 106394654) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
PubChem CID106394654
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCCc1ncno1
InChIInChI=1S/C10H15N3O4/c1-6(7(2)10(15)16)9(14)11-4-3-8-12-5-13-17-8/h5-7H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyPPEUUZWBAVEEKM-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-Oxadiazol-5-yl)pyrrolidin-2-one
CID 129800491
4-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 175958311
3-[3-(3-Propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43354685
3-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43354813
4-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43355071
3-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43360891
2-Methyl-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 62676212
2-Methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 62676764
2-[[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]butanoic acid
CID 65217862
2-[[3-(3-Propyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218417
2-[[3-(3-Methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977
2-[[3-(3-Propyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]butanoic acid
CID 65219451

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid (CID 106394654) is 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NCCc1ncno1.
What is the InChIKey of 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid?
The InChIKey is PPEUUZWBAVEEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(7(2)10(15)16)9(14)11-4-3-8-12-5-13-17-8/h5-7H,3-4H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid?
2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 106394654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).