3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid

C10H15N3O4 — CID 106394674

IUPAC3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCc1ncno1
InChIInChI=1S/C10H15N3O4/c1-7(5-10(15)16)4-8(14)11-3-2-9-12-6-13-17-9/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyYRTSQZNSYUAWGB-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.23
Rot. Bonds7

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

3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 106394674) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
PubChem CID106394674
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCc1ncno1
InChIInChI=1S/C10H15N3O4/c1-7(5-10(15)16)4-8(14)11-3-2-9-12-6-13-17-9/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyYRTSQZNSYUAWGB-UHFFFAOYSA-N
XLogP0.23
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

3-Methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
CID 82239625
5-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 102606443
5-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 103603976
2-[2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790300
3-Methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
3-Methyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
CID 106394605
3,3-Dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
CID 106394618
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
2,3-Dimethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394654
2-[2-(1,2,4-Oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394661
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106394668
2,2-Diethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394671

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid (CID 106394674) is 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCCc1ncno1.
What is the InChIKey of 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is YRTSQZNSYUAWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(5-10(15)16)4-8(14)11-3-2-9-12-6-13-17-9/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106394674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).